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Pitt Quantum Repository

5 Your query of nitro resulted in 500 molecules!
  • N-[(3',6'-Dihydroxy-3-Oxo-3h-Spiro[2-Benzofuran-1,9'-Xanthen]-5-Yl)carbamothioyl]-N~2~-(2,4-Dinitrophenyl)-L-Lysinamide

    N-[(3',6'-Dihydroxy-3-Ox...

    C33H28N6O10S

    N-[(3',6'-Dihydroxy-3-Ox...

    C33H28N6O10S

    Molecular Mass700.675 g·mol−1
    Heat of Formation2412.4 ± 16.7 kJ·mol−1
    Dipole Moment6.56 ± 1.08 D
    Volume647.22 Å 3
  • 5-Nitro-2,4,6(1h,3h,5h)-Pyrimidinetrione

    5-Nitro-2,4,6(1h,3h,5h)-...

    C4H3N3O5

    5-Nitro-2,4,6(1h,3h,5h)-...

    C4H3N3O5

    Molecular Mass173.084 g·mol−1
    Heat of Formation-499.9 ± 16.7 kJ·mol−1
    Dipole Moment3.01 ± 1.08 D
    Volume166.51 Å 3
  • 2-[5-Chloro-2-[(4-Cyano-3-Nitro-Phenyl)methylcarbamoyl]phenoxy]acetic Acid

    2-[5-Chloro-2-[(4-Cyano-...

    C17H12ClN3O6

    2-[5-Chloro-2-[(4-Cyano-...

    C17H12ClN3O6

    Molecular Mass389.747 g·mol−1
    Heat of Formation-424.1 ± 16.7 kJ·mol−1
    Dipole Moment9.67 ± 1.08 D
    Volume414.54 Å 3
  • (4-Nitrophenyl)methyl (5r,6e)-3-[(r)-[(e)-2-Acetamidovinyl]sulfinyl]-6-(2-Acetoxy-1-Methyl-Ethylidene)-7-Oxo-1-Azabicyclo[3.2.0]hept-2-Ene-2-Carboxylate

    (4-Nitrophenyl)methyl (5...

    C23H24N3O9S

    (4-Nitrophenyl)methyl (5...

    C23H24N3O9S

    Molecular Mass518.516 g·mol−1
    Heat of Formation-850.7 ± 16.7 kJ·mol−1
    Dipole Moment8.07 ± 1.08 D
    Volume563.12 Å 3
  • 1-Isocyanato-2-Methyl-3-Nitrobenzene

    1-Isocyanato-2-Methyl-3-...

    C8H6N2O3

    1-Isocyanato-2-Methyl-3-...

    C8H6N2O3

    Molecular Mass178.145 g·mol−1
    Heat of Formation-22.0 ± 16.7 kJ·mol−1
    Dipole Moment2.83 ± 1.08 D
    Volume195.07 Å 3
  • 1-Isocyanato-2-Methyl-3-Nitro-Benzene

    1-Isocyanato-2-Methyl-3-...

    C8H6N2O3

    1-Isocyanato-2-Methyl-3-...

    C8H6N2O3

    Molecular Mass178.145 g·mol−1
    Heat of Formation-19.4 ± 16.7 kJ·mol−1
    Dipole Moment3.11 ± 1.08 D
    Volume195.45 Å 3
  • 2,2-Dichloro-N-[3-Hydroxy-1-(4-Nitrophenyl)-1-Oxo-2-Propanyl]acetamide

    2,2-Dichloro-N-[3-Hydrox...

    C11H4Cl2N2O5

    2,2-Dichloro-N-[3-Hydrox...

    C11H4Cl2N2O5

    Molecular Mass315.066 g·mol−1
    Heat of Formation606.2 ± 16.7 kJ·mol−1
    Dipole Moment8.44 ± 1.08 D
    Volume300.73 Å 3
  • 4-[(e)-2-(5-Nitro-1-Vinyl-Imidazol-3-Ium-5-Id-2-Yl)vinyl]benzoic Acid

    4-[(e)-2-(5-Nitro-1-Viny...

    C14H12N3O4

    4-[(e)-2-(5-Nitro-1-Viny...

    C14H12N3O4

    Molecular Mass286.263 g·mol−1
    Heat of Formation2.9 ± 16.7 kJ·mol−1
    Dipole Moment3.33 ± 1.08 D
    Volume322.83 Å 3
  • 1-(3',6'-Dihydroxy-3-Oxo-3h-Spiro[2-Benzofuran-1,9'-Xanthen]-5-Yl)-3-[6-({2-[(2-Nitrophenyl)amino]ethyl}disulfanyl)-3-Pyridinyl]thiourea

    1-(3',6'-Dihydroxy-3-Oxo...

    C34H25N5O7S3

    1-(3',6'-Dihydroxy-3-Oxo...

    C34H25N5O7S3

    Molecular Mass711.787 g·mol−1
    Heat of Formation2851.0 ± 16.7 kJ·mol−1
    Dipole Moment10.75 ± 1.08 D
    Volume721.3 Å 3
  • 5(4h)-Oxazolone, 4-((4-(dimethylamino)-3-Nitrophenyl)methylene)-2-Phenyl-

    5(4h)-Oxazolone, 4-((4-(...

    C18H16N3O4

    5(4h)-Oxazolone, 4-((4-(...

    C18H16N3O4

    Molecular Mass338.337 g·mol−1
    Heat of Formation70.6 ± 16.7 kJ·mol−1
    Dipole Moment4.45 ± 1.08 D
    Volume382.06 Å 3
  • (z)-3-(4-Nitrophenoxy)prop-2-Enal

    (z)-3-(4-Nitrophenoxy)pr...

    C9H7NO4

    (z)-3-(4-Nitrophenoxy)pr...

    C9H7NO4

    Molecular Mass193.156 g·mol−1
    Heat of Formation-119.3 ± 16.7 kJ·mol−1
    Dipole Moment1.56 ± 1.08 D
    Volume215.71 Å 3
  • (e)-3-(4-Nitrophenoxy)prop-2-Enal

    (e)-3-(4-Nitrophenoxy)pr...

    C9H7NO4

    (e)-3-(4-Nitrophenoxy)pr...

    C9H7NO4

    Molecular Mass193.156 g·mol−1
    Heat of Formation-116.9 ± 16.7 kJ·mol−1
    Dipole Moment1.03 ± 1.08 D
    Volume216.77 Å 3
  • 5-(2-Fluorophenyl)-7-Nitro-1,3-Dihydro-2h-1,4-Benzodiazepin-2-One

    5-(2-Fluorophenyl)-7-Nit...

    C15H10FN3O3

    5-(2-Fluorophenyl)-7-Nit...

    C15H10FN3O3

    Molecular Mass299.257 g·mol−1
    Heat of Formation-83.3 ± 16.7 kJ·mol−1
    Dipole Moment2.40 ± 1.08 D
    Volume321.65 Å 3
  • (2e)-4-[(2-Nitrophenyl)amino]-4-Oxo-2-Butenoic Acid

    (2e)-4-[(2-Nitrophenyl)a...

    C10H8N2O5

    (2e)-4-[(2-Nitrophenyl)a...

    C10H8N2O5

    Molecular Mass236.181 g·mol−1
    Heat of Formation-396.9 ± 16.7 kJ·mol−1
    Dipole Moment3.31 ± 1.08 D
    Volume251.98 Å 3
  • (2z)-4-[(2-Nitrophenyl)amino]-4-Oxo-2-Butenoic Acid

    (2z)-4-[(2-Nitrophenyl)a...

    C10H8N2O5

    (2z)-4-[(2-Nitrophenyl)a...

    C10H8N2O5

    Molecular Mass236.181 g·mol−1
    Heat of Formation-396.3 ± 16.7 kJ·mol−1
    Dipole Moment2.05 ± 1.08 D
    Volume252.47 Å 3
  • 3-Fluoro-4-Nitro-Phenol

    3-Fluoro-4-Nitro-Phenol

    C6H4FNO3

    3-Fluoro-4-Nitro-Phenol

    C6H4FNO3

    Molecular Mass157.099 g·mol−1
    Heat of Formation-303.4 ± 16.7 kJ·mol−1
    Dipole Moment5.97 ± 1.08 D
    Volume157.97 Å 3
  • 2-Propoxyethyl 5-[(isopropylsulfamoyl)acetyl]-2,6-Dimethyl-4-(3-Nitrophenyl)-1,4-Dihydro-3-Pyridinecarboxylate

    2-Propoxyethyl 5-[(isopr...

    C24H33N3O8S

    2-Propoxyethyl 5-[(isopr...

    C24H33N3O8S

    Molecular Mass523.599 g·mol−1
    Heat of Formation-20.3 ± 16.7 kJ·mol−1
    Dipole Moment6.68 ± 1.08 D
    Volume591.53 Å 3
  • 3-(dimethylamino)-1-(4-Nitrophenyl)propan-1-One

    3-(dimethylamino)-1-(4-N...

    C11H14N2O3

    3-(dimethylamino)-1-(4-N...

    C11H14N2O3

    Molecular Mass222.240 g·mol−1
    Heat of Formation-89.0 ± 16.7 kJ·mol−1
    Dipole Moment5.16 ± 1.08 D
    Volume269.32 Å 3
  • 4-Methoxy-5-Nitro-2-(pyridin-1-Ium-3-Id-3-Ylmethylamino)benzamide

    4-Methoxy-5-Nitro-2-(pyr...

    C14H15N4O4

    4-Methoxy-5-Nitro-2-(pyr...

    C14H15N4O4

    Molecular Mass303.293 g·mol−1
    Heat of Formation-161.0 ± 16.7 kJ·mol−1
    Dipole Moment5.94 ± 1.08 D
    Volume337.21 Å 3
  • 2-{[(2-Nitro-1h-Imidazol-1-Yl)acetyl]amino}ethyl Acetate

    2-{[(2-Nitro-1h-Imidazol...

    C9H12N4O5

    2-{[(2-Nitro-1h-Imidazol...

    C9H12N4O5

    Molecular Mass256.215 g·mol−1
    Heat of Formation-213.6 ± 16.7 kJ·mol−1
    Dipole Moment4.47 ± 1.08 D
    Volume301.8 Å 3
  • 4-(dimethylamino)-3,10,12,12a-Tetrahydroxy-9-Nitro-1,11-Dioxo-1,4,4a,5,5a,6,11,12a-Octahydro-2-Tetracenecarboxamide

    4-(dimethylamino)-3,10,1...

    C21H21N3O9

    4-(dimethylamino)-3,10,1...

    C21H21N3O9

    Molecular Mass459.406 g·mol−1
    Heat of Formation-1057.4 ± 16.7 kJ·mol−1
    Dipole Moment9.70 ± 1.08 D
    Volume488.53 Å 3
  • Methyl [({(e)-[(2-Nitro-4-Propoxyphenyl)imino]methyl}sulfanyl)methyl]carbamate

    Methyl [({(e)-[(2-Nitro-...

    C13H17N3O5S

    Methyl [({(e)-[(2-Nitro-...

    C13H17N3O5S

    Molecular Mass327.356 g·mol−1
    Heat of Formation-392.9 ± 16.7 kJ·mol−1
    Dipole Moment4.36 ± 1.08 D
    Volume371.72 Å 3
  • (3r)-5-(2-Chlorophenyl)-3-Methyl-7-Nitro-1,3-Dihydro-2h-1,4-Benzodiazepin-2-One

    (3r)-5-(2-Chlorophenyl)-...

    C16H12ClN3O3

    (3r)-5-(2-Chlorophenyl)-...

    C16H12ClN3O3

    Molecular Mass329.738 g·mol−1
    Heat of Formation38.7 ± 16.7 kJ·mol−1
    Dipole Moment2.73 ± 1.08 D
    Volume355.98 Å 3
  • 2-Hydroxy-5-Nitro-Benzaldehyde

    2-Hydroxy-5-Nitro-Benzal...

    C7H5NO4

    2-Hydroxy-5-Nitro-Benzal...

    C7H5NO4

    Molecular Mass167.119 g·mol−1
    Heat of Formation-235.7 ± 16.7 kJ·mol−1
    Dipole Moment7.21 ± 1.08 D
    Volume177.04 Å 3
  • 3-[[(8r,9r,13s,14r,17s)-3-Hydroxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[a]phenanthren-17-Yl]-[(z)-1-Methyl-2-Nitro-Vinyl]amino]propanoate; Triazane

    3-[[(8r,9r,13s,14r,17s)-...

    C24H37N5O5

    3-[[(8r,9r,13s,14r,17s)-...

    C24H37N5O5

    Molecular Mass475.581 g·mol−1
    Heat of Formation4031.7 ± 16.7 kJ·mol−1
    Dipole Moment9.28 ± 1.08 D
    Volume511.08 Å 3
  • 4,4,4-Trifluoro-1-(4-Nitrophenyl)-1,3-Butanedione

    4,4,4-Trifluoro-1-(4-Nit...

    C10H6F3NO4

    4,4,4-Trifluoro-1-(4-Nit...

    C10H6F3NO4

    Molecular Mass261.154 g·mol−1
    Heat of Formation-853.2 ± 16.7 kJ·mol−1
    Dipole Moment2.52 ± 1.08 D
    Volume262.23 Å 3
  • 4-Nitrophenyl Vinyl Ether

    4-Nitrophenyl Vinyl Ethe...

    C8H7NO3

    4-Nitrophenyl Vinyl Ethe...

    C8H7NO3

    Molecular Mass165.146 g·mol−1
    Heat of Formation-6.9 ± 16.7 kJ·mol−1
    Dipole Moment5.64 ± 1.08 D
    Volume189.62 Å 3
  • 2-(4-Oxo-2h-1,3-Benzoxazin-3(4h)-Yl)ethyl Nitrate

    2-(4-Oxo-2h-1,3-Benzoxaz...

    C10H10N2O5

    2-(4-Oxo-2h-1,3-Benzoxaz...

    C10H10N2O5

    Molecular Mass238.197 g·mol−1
    Heat of Formation-315.3 ± 16.7 kJ·mol−1
    Dipole Moment4.00 ± 1.08 D
    Volume258.2 Å 3
  • Methyl N-(4-((2-Chloro-4-Nitrophenyl)azo)phenyl)-N-(2-Cyanoethyl)-Beta-Alaninate

    Methyl N-(4-((2-Chloro-4...

    C19H18ClN5O4

    Methyl N-(4-((2-Chloro-4...

    C19H18ClN5O4

    Molecular Mass415.830 g·mol−1
    Heat of Formation97.7 ± 16.7 kJ·mol−1
    Dipole Moment4.69 ± 1.08 D
    Volume476.25 Å 3
  • 3-[(e)-2-Nitrovinyl]phenol

    3-[(e)-2-Nitrovinyl]phen...

    C8H7NO3

    3-[(e)-2-Nitrovinyl]phen...

    C8H7NO3

    Molecular Mass165.146 g·mol−1
    Heat of Formation-60.3 ± 16.7 kJ·mol−1
    Dipole Moment6.38 ± 1.08 D
    Volume188.19 Å 3
  • 1-Isothiocyanato-4-(4-Nitrophenoxy)benzene

    1-Isothiocyanato-4-(4-Ni...

    C13H8N2O3S

    1-Isothiocyanato-4-(4-Ni...

    C13H8N2O3S

    Molecular Mass272.279 g·mol−1
    Heat of Formation195.3 ± 16.7 kJ·mol−1
    Dipole Moment3.68 ± 1.08 D
    Volume302.18 Å 3
  • Eosin B Spirit Soluble

    Eosin B Spirit Soluble

    C20H8Br2N2O9

    Eosin B Spirit Soluble

    C20H8Br2N2O9

    Molecular Mass580.094 g·mol−1
    Heat of Formation485.0 ± 16.7 kJ·mol−1
    Dipole Moment4.70 ± 1.08 D
    Volume473.3 Å 3
  • Koshland's Reagent 3

    Koshland's Reagent 3

    C8H7BrN2O4

    Koshland's Reagent 3

    C8H7BrN2O4

    Molecular Mass275.056 g·mol−1
    Heat of Formation-279.2 ± 16.7 kJ·mol−1
    Dipole Moment8.06 ± 1.08 D
    Volume240.78 Å 3
  • (2s)-2-Hydroxy-2-(4-Nitrophenyl)acetic Acid

    (2s)-2-Hydroxy-2-(4-Nitr...

    C8H7NO5

    (2s)-2-Hydroxy-2-(4-Nitr...

    C8H7NO5

    Molecular Mass197.145 g·mol−1
    Heat of Formation-485.9 ± 16.7 kJ·mol−1
    Dipole Moment4.04 ± 1.08 D
    Volume208.95 Å 3
  • 2-Chloro-N-[2-(4-Methyl-1-Piperazinyl)-5-Nitrophenyl]benzamide

    2-Chloro-N-[2-(4-Methyl-...

    C18H19ClN4O3

    2-Chloro-N-[2-(4-Methyl-...

    C18H19ClN4O3

    Molecular Mass374.821 g·mol−1
    Heat of Formation-4.0 ± 16.7 kJ·mol−1
    Dipole Moment9.99 ± 1.08 D
    Volume421.68 Å 3
  • (z)-6-[(2s,4r,5r)-2-[1-Methyl-1-(4-Methyl-2-Nitro-Phenoxy)ethyl]-4-Pyridin-1-Ium-3-Id-3-Yl-1,3-Dioxan-5-Yl]hex-4-Enoic Acid

    (z)-6-[(2s,4r,5r)-2-[1-M...

    C25H31N2O7

    (z)-6-[(2s,4r,5r)-2-[1-M...

    C25H31N2O7

    Molecular Mass471.523 g·mol−1
    Heat of Formation-762.8 ± 16.7 kJ·mol−1
    Dipole Moment6.63 ± 1.08 D
    Volume563.65 Å 3
  • 2-{[bis(2-Chloroethyl)amino]methyl}-5-Nitro-L-Phenylalanine

    2-{[bis(2-Chloroethyl)am...

    C14H19Cl2N3O4

    2-{[bis(2-Chloroethyl)am...

    C14H19Cl2N3O4

    Molecular Mass364.224 g·mol−1
    Heat of Formation-436.3 ± 16.7 kJ·mol−1
    Dipole Moment5.78 ± 1.08 D
    Volume413.12 Å 3
  • Ranbezolid

    Ranbezolid

    C20H14FN5O6++

    Ranbezolid

    C20H14FN5O6++

    Molecular Mass439.353 g·mol−1
    Heat of Formation-585.6 ± 16.7 kJ·mol−1
    Dipole Moment5.98 ± 1.08 D
    Volume518.78 Å 3
  • 4-Nitroisobenzofuran-1,3-Dione

    4-Nitroisobenzofuran-1,3...

    C8H3NO5

    4-Nitroisobenzofuran-1,3...

    C8H3NO5

    Molecular Mass193.113 g·mol−1
    Heat of Formation-292.3 ± 16.7 kJ·mol−1
    Dipole Moment6.23 ± 1.08 D
    Volume188.08 Å 3
  • Benzyl (2s)-2-Amino-5-[(e)-[amino(nitramido)methylene]amino]pentanoate

    Benzyl (2s)-2-Amino-5-[(...

    C13H19N5O4

    Benzyl (2s)-2-Amino-5-[(...

    C13H19N5O4

    Molecular Mass309.321 g·mol−1
    Heat of Formation-250.4 ± 16.7 kJ·mol−1
    Dipole Moment3.52 ± 1.08 D
    Volume367.08 Å 3
  • 5-Amino-2-Nitro-Benzoic Acid

    5-Amino-2-Nitro-Benzoic ...

    C7H6N2O4

    5-Amino-2-Nitro-Benzoic ...

    C7H6N2O4

    Molecular Mass182.133 g·mol−1
    Heat of Formation-290.6 ± 16.7 kJ·mol−1
    Dipole Moment8.12 ± 1.08 D
    Volume191.25 Å 3
  • 10-Hydroxy-6-Nitro-Naphtho[1,2-E][1,3]benzodioxole-5-Carboxylic Acid

    10-Hydroxy-6-Nitro-Napht...

    C16H9NO7

    10-Hydroxy-6-Nitro-Napht...

    C16H9NO7

    Molecular Mass327.245 g·mol−1
    Heat of Formation-568.9 ± 16.7 kJ·mol−1
    Dipole Moment7.34 ± 1.08 D
    Volume326.74 Å 3
  • (e)-N~6~-[hydroxy(4-Nitrophenoxy)methylene]lysyl-L-Proline

    (e)-N~6~-[hydroxy(4-Nitr...

    C18H25N4O7

    (e)-N~6~-[hydroxy(4-Nitr...

    C18H25N4O7

    Molecular Mass413.445 g·mol−1
    Heat of Formation-669.7 ± 16.7 kJ·mol−1
    Dipole Moment5.93 ± 1.08 D
    Volume509.7 Å 3
  • 3-(5-Nitro-2-Furyl)-N-(2-Oxiranylmethyl)acrylamide

    3-(5-Nitro-2-Furyl)-N-(2...

    C10H4N2O5

    3-(5-Nitro-2-Furyl)-N-(2...

    C10H4N2O5

    Molecular Mass232.149 g·mol−1
    Heat of Formation1176.3 ± 16.7 kJ·mol−1
    Dipole Moment1.05 ± 1.08 D
    Volume235.0 Å 3
  • (5z)-3-Benzyl-5-[(2-Hydroxy-3-Nitro-Phenyl)methylene]-2-Thioxo-Thiazolidin-4-One

    (5z)-3-Benzyl-5-[(2-Hydr...

    C17H12N2O4S2

    (5z)-3-Benzyl-5-[(2-Hydr...

    C17H12N2O4S2

    Molecular Mass372.418 g·mol−1
    Heat of Formation22.1 ± 16.7 kJ·mol−1
    Dipole Moment6.36 ± 1.08 D
    Volume400.02 Å 3
  • Hydroxynitrodihydrothymine

    Hydroxynitrodihydrothymi...

    C5H7N3O5

    Hydroxynitrodihydrothymi...

    C5H7N3O5

    Molecular Mass189.126 g·mol−1
    Heat of Formation531.9 ± 16.7 kJ·mol−1
    Dipole Moment3.82 ± 1.08 D
    Volume175.54 Å 3
  • 5-(aziridin-1-Yl)-2-Nitro-4-Nitroso-Benzamide

    5-(aziridin-1-Yl)-2-Nitr...

    C9H8N4O4

    5-(aziridin-1-Yl)-2-Nitr...

    C9H8N4O4

    Molecular Mass236.184 g·mol−1
    Heat of Formation144.4 ± 16.7 kJ·mol−1
    Dipole Moment6.97 ± 1.08 D
    Volume251.81 Å 3
  • 5-(1-Aziridinyl)-2-Nitro-4-Nitrosobenzamide

    5-(1-Aziridinyl)-2-Nitro...

    C9H8N4O4

    5-(1-Aziridinyl)-2-Nitro...

    C9H8N4O4

    Molecular Mass236.184 g·mol−1
    Heat of Formation160.1 ± 16.7 kJ·mol−1
    Dipole Moment3.77 ± 1.08 D
    Volume254.8 Å 3
  • 2-Nitro-1-[2-(trifluoromethoxy)phenyl]ethanone

    2-Nitro-1-[2-(trifluorom...

    C9H6F3NO4

    2-Nitro-1-[2-(trifluorom...

    C9H6F3NO4

    Molecular Mass249.143 g·mol−1
    Heat of Formation-903.6 ± 16.7 kJ·mol−1
    Dipole Moment7.94 ± 1.08 D
    Volume245.11 Å 3
  • (2r)-2-Benzyl-3-Nitro-Propanoic Acid

    (2r)-2-Benzyl-3-Nitro-Pr...

    C10H11NO4

    (2r)-2-Benzyl-3-Nitro-Pr...

    C10H11NO4

    Molecular Mass209.199 g·mol−1
    Heat of Formation-365.1 ± 16.7 kJ·mol−1
    Dipole Moment2.80 ± 1.08 D
    Volume245.98 Å 3
  • 2-Chloro-4-Fluoro-3-Methyl-N-[2-(4-Methyl-1-Piperazinyl)-5-Nitrophenyl]benzamide

    2-Chloro-4-Fluoro-3-Meth...

    C19H20ClFN4O3

    2-Chloro-4-Fluoro-3-Meth...

    C19H20ClFN4O3

    Molecular Mass406.839 g·mol−1
    Heat of Formation-238.8 ± 16.7 kJ·mol−1
    Dipole Moment9.36 ± 1.08 D
    Volume449.74 Å 3
  • Chloramphenicol Succinate

    Chloramphenicol Succinat...

    C15H16Cl2N2O8

    Chloramphenicol Succinat...

    C15H16Cl2N2O8

    Molecular Mass423.202 g·mol−1
    Heat of Formation-1129.1 ± 16.7 kJ·mol−1
    Dipole Moment6.24 ± 1.08 D
    Volume447.77 Å 3
  • 4-Nitroinden-1-One

    4-Nitroinden-1-One

    C9H5NO3

    4-Nitroinden-1-One

    C9H5NO3

    Molecular Mass175.141 g·mol−1
    Heat of Formation75.2 ± 16.7 kJ·mol−1
    Dipole Moment2.50 ± 1.08 D
    Volume186.49 Å 3
  • (z)-N-(3,3-Dimethyl-2-Butanyl)-N'-(2-Ethoxyphenyl)-2-Nitro-1,1-Ethenediamine

    (z)-N-(3,3-Dimethyl-2-Bu...

    C16H13N3O3

    (z)-N-(3,3-Dimethyl-2-Bu...

    C16H13N3O3

    Molecular Mass295.293 g·mol−1
    Heat of Formation3006.5 ± 16.7 kJ·mol−1
    Dipole Moment4.67 ± 1.08 D
    Volume335.32 Å 3
  • Beta-Nitropropionic Acid

    Beta-Nitropropionic Acid

    C3H5NO4

    Beta-Nitropropionic Acid

    C3H5NO4

    Molecular Mass119.076 g·mol−1
    Heat of Formation-453.8 ± 16.7 kJ·mol−1
    Dipole Moment3.13 ± 1.08 D
    Volume129.58 Å 3
  • (z)-N-(1,3-Benzodioxol-5-Ylmethyl)-N'-{2-[({5-[(dimethylamino)methyl]-2-Furyl}methyl)sulfanyl]ethyl}-2-Nitro-1,1-Ethenediamine

    (z)-N-(1,3-Benzodioxol-5...

    C20H26N4O5S

    (z)-N-(1,3-Benzodioxol-5...

    C20H26N4O5S

    Molecular Mass434.509 g·mol−1
    Heat of Formation-204.1 ± 16.7 kJ·mol−1
    Dipole Moment7.88 ± 1.08 D
    Volume513.42 Å 3
  • 4-Methyl-2-Nitrophenol

    4-Methyl-2-Nitrophenol

    C7H7NO3

    4-Methyl-2-Nitrophenol

    C7H7NO3

    Molecular Mass153.135 g·mol−1
    Heat of Formation-134.3 ± 16.7 kJ·mol−1
    Dipole Moment6.53 ± 1.08 D
    Volume170.6 Å 3
  • 4-Methyl-2-Nitro-Phenol

    4-Methyl-2-Nitro-Phenol

    C7H7NO3

    4-Methyl-2-Nitro-Phenol

    C7H7NO3

    Molecular Mass153.135 g·mol−1
    Heat of Formation-168.0 ± 16.7 kJ·mol−1
    Dipole Moment4.62 ± 1.08 D
    Volume168.9 Å 3
  • 2(1h)-Pyrimidinone, 4-Amino-1-[(6xi)-6,7-Dideoxy-5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-6-(2-Nitrophenyl)-Alpha-L-Talo-Heptofuranosyl]-

    2(1h)-Pyrimidinone, 4-Am...

    C17H11N4O16P3

    2(1h)-Pyrimidinone, 4-Am...

    C17H11N4O16P3

    Molecular Mass620.208 g·mol−1
    Heat of Formation-537.8 ± 16.7 kJ·mol−1
    Dipole Moment7.24 ± 1.08 D
    Volume549.6 Å 3
  • [4-(6-Aminopurin-9-Yl)-1',3',5'-Trinitro-Spiro[3a,4,6,6a-Tetrahydrofuro[3,4-D][1,3]dioxole-2,6'-Cyclohexa-1,4-Diene]-6-Yl]methyl Dihydrogen Phosphate

    [4-(6-Aminopurin-9-Yl)-1...

    C16H18N8O13P

    [4-(6-Aminopurin-9-Yl)-1...

    C16H18N8O13P

    Molecular Mass561.334 g·mol−1
    Heat of Formation928.0 ± 16.7 kJ·mol−1
    Dipole Moment0.81 ± 1.08 D
    Volume515.72 Å 3
  • 5-Nitroisoindoline-1,3-Dione

    5-Nitroisoindoline-1,3-D...

    C8H4N2O4

    5-Nitroisoindoline-1,3-D...

    C8H4N2O4

    Molecular Mass192.128 g·mol−1
    Heat of Formation-185.6 ± 16.7 kJ·mol−1
    Dipole Moment2.49 ± 1.08 D
    Volume195.27 Å 3
  • (2s,3s,4s,5r,6r)-3,4,5-Trihydroxy-6-[(1r)-1-(methoxymethyl)-2-(2-Nitro-4h-Imidazol-1-Ium-4-Id-3-Yl)ethoxy]tetrahydropyran-2-Carboxylic Acid

    (2s,3s,4s,5r,6r)-3,4,5-T...

    C13H20N3O10

    (2s,3s,4s,5r,6r)-3,4,5-T...

    C13H20N3O10

    Molecular Mass378.312 g·mol−1
    Heat of Formation-1285.5 ± 16.7 kJ·mol−1
    Dipole Moment6.62 ± 1.08 D
    Volume403.67 Å 3
  • 2-Nitramidoacetic Acid

    2-Nitramidoacetic Acid

    C2H4N2O4

    2-Nitramidoacetic Acid

    C2H4N2O4

    Molecular Mass120.064 g·mol−1
    Heat of Formation-379.2 ± 16.7 kJ·mol−1
    Dipole Moment4.13 ± 1.08 D
    Volume123.0 Å 3
  • (nitroamino)acetic Acid

    (nitroamino)acetic Acid

    C2H4N2O4

    (nitroamino)acetic Acid

    C2H4N2O4

    Molecular Mass120.064 g·mol−1
    Heat of Formation-378.3 ± 16.7 kJ·mol−1
    Dipole Moment4.30 ± 1.08 D
    Volume123.52 Å 3
  • 2-(2-Methyl-5-Nitro-Imidazol-3-Ium-5-Id-1-Yl)ethyl Benzoate

    2-(2-Methyl-5-Nitro-Imid...

    C13H14N3O4

    2-(2-Methyl-5-Nitro-Imid...

    C13H14N3O4

    Molecular Mass276.268 g·mol−1
    Heat of Formation-154.9 ± 16.7 kJ·mol−1
    Dipole Moment6.75 ± 1.08 D
    Volume309.39 Å 3
  • (1s)-1-(4-Nitrophenyl)-2-Propen-1-Ol

    (1s)-1-(4-Nitrophenyl)-2...

    C9H9NO3

    (1s)-1-(4-Nitrophenyl)-2...

    C9H9NO3

    Molecular Mass179.173 g·mol−1
    Heat of Formation1473.4 ± 16.7 kJ·mol−1
    Dipole Moment4.53 ± 1.08 D
    Volume193.72 Å 3
  • N-Benzoyl-3-Nitro-L-Tyrosine

    N-Benzoyl-3-Nitro-L-Tyro...

    C16H14N2O6

    N-Benzoyl-3-Nitro-L-Tyro...

    C16H14N2O6

    Molecular Mass330.292 g·mol−1
    Heat of Formation-594.8 ± 16.7 kJ·mol−1
    Dipole Moment6.18 ± 1.08 D
    Volume369.9 Å 3
  • N-Benzoyl-3-Nitro-L-Tyrosine

    N-Benzoyl-3-Nitro-L-Tyro...

    C16H14N2O6

    N-Benzoyl-3-Nitro-L-Tyro...

    C16H14N2O6

    Molecular Mass330.292 g·mol−1
    Heat of Formation-602.1 ± 16.7 kJ·mol−1
    Dipole Moment3.33 ± 1.08 D
    Volume370.56 Å 3
  • (2s)-2-Amino-4-{hydroxy[hydroxy(4-Hydroxy-3-Methoxy-5-Nitrophenyl)methyl]phosphoryl}butanoic Acid

    (2s)-2-Amino-4-{hydroxy[...

    C12H17N2O9P

    (2s)-2-Amino-4-{hydroxy[...

    C12H17N2O9P

    Molecular Mass364.245 g·mol−1
    Heat of Formation-1371.5 ± 16.7 kJ·mol−1
    Dipole Moment6.00 ± 1.08 D
    Volume388.24 Å 3
  • 3-(2-Furoyl)-5-Methoxycarbonyl-2,6-Dimethyl-4-(2-Nitrophenyl)-1,4-Dihydropyridine

    3-(2-Furoyl)-5-Methoxyca...

    C20H18N2O6

    3-(2-Furoyl)-5-Methoxyca...

    C20H18N2O6

    Molecular Mass382.367 g·mol−1
    Heat of Formation-413.0 ± 16.7 kJ·mol−1
    Dipole Moment3.31 ± 1.08 D
    Volume432.11 Å 3
  • (e)-1-(4-Bromo-5-Nitro-2-Furyl)methanimine

    (e)-1-(4-Bromo-5-Nitro-2...

    C5H3BrN2O3

    (e)-1-(4-Bromo-5-Nitro-2...

    C5H3BrN2O3

    Molecular Mass218.993 g·mol−1
    Heat of Formation126.0 ± 16.7 kJ·mol−1
    Dipole Moment4.51 ± 1.08 D
    Volume178.82 Å 3
  • 5-Nitro-2-[(2-Phenyl-3,4-Dihydro-2h-Chromen-6-Yl)oxy]pyridine

    5-Nitro-2-[(2-Phenyl-3,4...

    C20H12N2O4

    5-Nitro-2-[(2-Phenyl-3,4...

    C20H12N2O4

    Molecular Mass344.320 g·mol−1
    Heat of Formation2731.9 ± 16.7 kJ·mol−1
    Dipole Moment11.34 ± 1.08 D
    Volume338.93 Å 3
  • [4-Amino-2-(4-Chloroanilino)thiazol-3-Ium-5-Id-5-Yl]-(3-Nitrophenyl)methanone

    [4-Amino-2-(4-Chloroanil...

    C16H12ClN4O3S

    [4-Amino-2-(4-Chloroanil...

    C16H12ClN4O3S

    Molecular Mass375.810 g·mol−1
    Heat of Formation127.6 ± 16.7 kJ·mol−1
    Dipole Moment4.54 ± 1.08 D
    Volume394.44 Å 3
  • 5'-O-(p-Hydroxy-P-{[hydroxy({hydroxy[1-(2-Nitrophenyl)ethoxy]phosphoryl}oxy)phosphoryl]oxy}phosphorimidoyl)guanosine

    5'-O-(p-Hydroxy-P-{[hydr...

    C18H16N7O15P3+

    5'-O-(p-Hydroxy-P-{[hydr...

    C18H16N7O15P3+

    Molecular Mass663.279 g·mol−1
    Heat of Formation-376.8 ± 16.7 kJ·mol−1
    Dipole Moment16.98 ± 1.08 D
    Volume603.92 Å 3
  • 4-Nitrophenyl 2-Fluoropropanoate

    4-Nitrophenyl 2-Fluoropr...

    C9H8FNO4

    4-Nitrophenyl 2-Fluoropr...

    C9H8FNO4

    Molecular Mass213.163 g·mol−1
    Heat of Formation-453.3 ± 16.7 kJ·mol−1
    Dipole Moment2.42 ± 1.08 D
    Volume230.45 Å 3
  • Aranidipine

    Aranidipine

    C19H20N2O7

    Aranidipine

    C19H20N2O7

    Molecular Mass388.371 g·mol−1
    Heat of Formation-785.7 ± 16.7 kJ·mol−1
    Dipole Moment5.52 ± 1.08 D
    Volume435.99 Å 3
  • 2,2-Dichloro-N-[3-Hydroxy-1-(4-Nitrophenyl)-1-Oxo-2-Propanyl]acetamide

    2,2-Dichloro-N-[3-Hydrox...

    C11H10Cl2N2O5

    2,2-Dichloro-N-[3-Hydrox...

    C11H10Cl2N2O5

    Molecular Mass321.114 g·mol−1
    Heat of Formation-495.2 ± 16.7 kJ·mol−1
    Dipole Moment5.12 ± 1.08 D
    Volume328.25 Å 3
  • 2,2-Dichloro-N-[(1r)-1-(hydroxymethyl)-2-(4-Nitrophenyl)-2-Oxo-Ethyl]acetamide

    2,2-Dichloro-N-[(1r)-1-(...

    C11H10Cl2N2O5

    2,2-Dichloro-N-[(1r)-1-(...

    C11H10Cl2N2O5

    Molecular Mass321.113 g·mol−1
    Heat of Formation-483.0 ± 16.7 kJ·mol−1
    Dipole Moment3.67 ± 1.08 D
    Volume333.97 Å 3
  • N-[(5-Nitro-1,3-Thiazol-2-Yl)carbamoyl]glycine

    N-[(5-Nitro-1,3-Thiazol-...

    C6H6N4O5S

    N-[(5-Nitro-1,3-Thiazol-...

    C6H6N4O5S

    Molecular Mass246.201 g·mol−1
    Heat of Formation-375.8 ± 16.7 kJ·mol−1
    Dipole Moment7.67 ± 1.08 D
    Volume246.57 Å 3
  • 5-[(6-Bromohexanoyl)amino]-2-Nitrobenzoic Acid

    5-[(6-Bromohexanoyl)amin...

    C13H15BrN2O5

    5-[(6-Bromohexanoyl)amin...

    C13H15BrN2O5

    Molecular Mass359.173 g·mol−1
    Heat of Formation-548.2 ± 16.7 kJ·mol−1
    Dipole Moment7.35 ± 1.08 D
    Volume359.25 Å 3
  • 2-[(4-Azido-2-Nitrophenyl)amino]acetohydrazide

    2-[(4-Azido-2-Nitropheny...

    C8H10N7O3

    2-[(4-Azido-2-Nitropheny...

    C8H10N7O3

    Molecular Mass252.210 g·mol−1
    Heat of Formation319.2 ± 16.7 kJ·mol−1
    Dipole Moment7.75 ± 1.08 D
    Volume271.42 Å 3
  • (2e)-{[(4-Nitrophenyl)sulfonyl]hydrazono}acetic Acid

    (2e)-{[(4-Nitrophenyl)su...

    C8H7N3O6S

    (2e)-{[(4-Nitrophenyl)su...

    C8H7N3O6S

    Molecular Mass273.223 g·mol−1
    Heat of Formation-462.9 ± 16.7 kJ·mol−1
    Dipole Moment3.87 ± 1.08 D
    Volume275.83 Å 3
  • (3r)-5-(2-Fluorophenyl)-1,3-Dimethyl-7-Nitro-1,3-Dihydro-2h-1,4-Benzodiazepin-2-One

    (3r)-5-(2-Fluorophenyl)-...

    C17H14FN3O3

    (3r)-5-(2-Fluorophenyl)-...

    C17H14FN3O3

    Molecular Mass327.310 g·mol−1
    Heat of Formation-110.3 ± 16.7 kJ·mol−1
    Dipole Moment3.02 ± 1.08 D
    Volume365.43 Å 3
  • 5-(2-Chlorophenyl)-1,3-Dihydro-1-Methyl-7-Nitro-2h-1,4-Benzodiazepin-2-One

    5-(2-Chlorophenyl)-1,3-D...

    C16H12ClN3O3

    5-(2-Chlorophenyl)-1,3-D...

    C16H12ClN3O3

    Molecular Mass329.738 g·mol−1
    Heat of Formation53.6 ± 16.7 kJ·mol−1
    Dipole Moment1.18 ± 1.08 D
    Volume355.03 Å 3
  • 5-(2-Chlorophenyl)-1-Methyl-7-Nitro-3h-1,4-Benzodiazepin-2-One

    5-(2-Chlorophenyl)-1-Met...

    C16H12ClN3O3

    5-(2-Chlorophenyl)-1-Met...

    C16H12ClN3O3

    Molecular Mass329.738 g·mol−1
    Heat of Formation53.7 ± 16.7 kJ·mol−1
    Dipole Moment1.17 ± 1.08 D
    Volume354.98 Å 3
  • 2-Chloro-2-Fluoro-N-[2-(4-Nitrophenyl)ethyl]acetamide

    2-Chloro-2-Fluoro-N-[2-(...

    C10H10ClFN2O3

    2-Chloro-2-Fluoro-N-[2-(...

    C10H10ClFN2O3

    Molecular Mass260.649 g·mol−1
    Heat of Formation-358.4 ± 16.7 kJ·mol−1
    Dipole Moment3.03 ± 1.08 D
    Volume278.82 Å 3
  • (4-Nitrophenyl) (2s)-2-(benzyloxycarbonylamino)-5-Guanidino-Pentanoate

    (4-Nitrophenyl) (2s)-2-(...

    C20H23N5O6

    (4-Nitrophenyl) (2s)-2-(...

    C20H23N5O6

    Molecular Mass429.426 g·mol−1
    Heat of Formation-475.2 ± 16.7 kJ·mol−1
    Dipole Moment7.54 ± 1.08 D
    Volume500.26 Å 3
  • O5-Isopropyl O3-(2-Methoxyethyl) (4s)-2,6-Dimethyl-4-(3-Nitrophenyl)-1,4-Dihydropyridine-3,5-Dicarboxylate

    O5-Isopropyl O3-(2-Metho...

    C21H26N2O7

    O5-Isopropyl O3-(2-Metho...

    C21H26N2O7

    Molecular Mass418.440 g·mol−1
    Heat of Formation-873.0 ± 16.7 kJ·mol−1
    Dipole Moment3.83 ± 1.08 D
    Volume500.29 Å 3
  • 3-(5-Nitro-2-Furyl)-N-(2-Oxiranylmethyl)acrylamide

    3-(5-Nitro-2-Furyl)-N-(2...

    C10H10N2O5

    3-(5-Nitro-2-Furyl)-N-(2...

    C10H10N2O5

    Molecular Mass238.197 g·mol−1
    Heat of Formation-204.8 ± 16.7 kJ·mol−1
    Dipole Moment3.13 ± 1.08 D
    Volume275.7 Å 3
  • Nitisinone

    Nitisinone

    C14H10F3NO5

    Nitisinone

    C14H10F3NO5

    Molecular Mass329.228 g·mol−1
    Heat of Formation-1048.9 ± 16.7 kJ·mol−1
    Dipole Moment6.75 ± 1.08 D
    Volume333.5 Å 3
  • (2s)-2-Amino-3-[2-(2-Carboxyethyl)-5-Chloro-4-Nitro-Phenyl]propanoic Acid

    (2s)-2-Amino-3-[2-(2-Car...

    C12H13ClN2O6

    (2s)-2-Amino-3-[2-(2-Car...

    C12H13ClN2O6

    Molecular Mass316.694 g·mol−1
    Heat of Formation-770.4 ± 16.7 kJ·mol−1
    Dipole Moment6.10 ± 1.08 D
    Volume339.58 Å 3
  • 2-[carbamoyl-[(e)-(5-Nitro-2-Furyl)methyleneamino]amino]acetic Acid

    2-[carbamoyl-[(e)-(5-Nit...

    C8H8N4O6

    2-[carbamoyl-[(e)-(5-Nit...

    C8H8N4O6

    Molecular Mass256.172 g·mol−1
    Heat of Formation-424.2 ± 16.7 kJ·mol−1
    Dipole Moment4.10 ± 1.08 D
    Volume267.43 Å 3
  • 1-((4-Hydroxy-3-Nitrophenyl)acetoxy)-2,5-Pyrrolidinedione

    1-((4-Hydroxy-3-Nitrophe...

    C12H10N2O7

    1-((4-Hydroxy-3-Nitrophe...

    C12H10N2O7

    Molecular Mass294.217 g·mol−1
    Heat of Formation-675.4 ± 16.7 kJ·mol−1
    Dipole Moment4.82 ± 1.08 D
    Volume309.15 Å 3
  • (2,5-Dioxopyrrolidin-1-Yl) 2-(4-Hydroxy-3-Nitro-Phenyl)acetate

    (2,5-Dioxopyrrolidin-1-Y...

    C12H10N2O7

    (2,5-Dioxopyrrolidin-1-Y...

    C12H10N2O7

    Molecular Mass294.217 g·mol−1
    Heat of Formation-675.4 ± 16.7 kJ·mol−1
    Dipole Moment4.83 ± 1.08 D
    Volume309.05 Å 3
  • [4-[[4-Methoxy-3-(3h-Pyridin-1-Ium-3-Id-5-Ylmethylcarbamoyl)benzoyl]amino]cyclohexyl] Nitrate

    [4-[[4-Methoxy-3-(3h-Pyr...

    C21H25N4O6

    [4-[[4-Methoxy-3-(3h-Pyr...

    C21H25N4O6

    Molecular Mass429.446 g·mol−1
    Heat of Formation-481.2 ± 16.7 kJ·mol−1
    Dipole Moment9.63 ± 1.08 D
    Volume497.84 Å 3
  • 3-Ethyl 5-Methyl 2-{[(2-Aminoethyl)sulfanyl]methyl}-6-Methyl-4-(3-Nitrophenyl)-1,4-Dihydro-3,5-Pyridinedicarboxylate

    3-Ethyl 5-Methyl 2-{[(2-...

    C20H25N3O6S

    3-Ethyl 5-Methyl 2-{[(2-...

    C20H25N3O6S

    Molecular Mass435.494 g·mol−1
    Heat of Formation-655.3 ± 16.7 kJ·mol−1
    Dipole Moment4.15 ± 1.08 D
    Volume497.6 Å 3
  • (3r)-3-Hex-1-Ynyl-3-Hydroxy-5-Nitro-Indolin-2-One

    (3r)-3-Hex-1-Ynyl-3-Hydr...

    C14H14N2O4

    (3r)-3-Hex-1-Ynyl-3-Hydr...

    C14H14N2O4

    Molecular Mass274.272 g·mol−1
    Heat of Formation-98.8 ± 16.7 kJ·mol−1
    Dipole Moment4.94 ± 1.08 D
    Volume321.0 Å 3
  • 3-(1-Hexyn-1-Yl)-3-Hydroxy-5-Nitro-1,3-Dihydro-2h-Indol-2-One

    3-(1-Hexyn-1-Yl)-3-Hydro...

    C14H14N2O4

    3-(1-Hexyn-1-Yl)-3-Hydro...

    C14H14N2O4

    Molecular Mass274.272 g·mol−1
    Heat of Formation-88.7 ± 16.7 kJ·mol−1
    Dipole Moment4.03 ± 1.08 D
    Volume319.84 Å 3
  • (2s,4s,5r,6r)-5-Acetamido-2-(4-Azido-2-Nitro-Phenyl)sulfanyl-4-Hydroxy-6-[(1r,2r)-1,2,3-Trihydroxypropyl]tetrahydropyran-2-Carboxylic Acid

    (2s,4s,5r,6r)-5-Acetamid...

    C17H22N5O10S

    (2s,4s,5r,6r)-5-Acetamid...

    C17H22N5O10S

    Molecular Mass488.449 g·mol−1
    Heat of Formation-1134.6 ± 16.7 kJ·mol−1
    Dipole Moment8.65 ± 1.08 D
    Volume513.96 Å 3
  • 2,6-Dichloro-4-Nitrophenol

    2,6-Dichloro-4-Nitrophen...

    C6H3Cl2NO3

    2,6-Dichloro-4-Nitrophen...

    C6H3Cl2NO3

    Molecular Mass207.999 g·mol−1
    Heat of Formation-163.1 ± 16.7 kJ·mol−1
    Dipole Moment3.95 ± 1.08 D
    Volume195.29 Å 3
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Made available under the Open Database License.
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