N-Acetoxy-2-(3-Nitro-4,5-Dihydro-1H-Pyrazol-1-Yl)Acetamide

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Properties Simple | Detailed

Formula C7H10N4O5
IUPAC Name [[2-(3-nitro-4,5-dihydropyrazol-1-yl)acetyl]amino] acetate
Molecular Mass 230.178 g·mol−1
Heat of Formation 1276.0 ± 16.7 kJ·mol−1
Dipole Moment 5.25 ± 1.08 D
Volume 226.0 Å 3
Surface Area 223.99 Å 2
HOMO Energy -10.40 ± 0.55 eV
LUMO Energy -1.29 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(o-acetyl-acetohydroxamic acid)-3-nitropyrazole
  • 1h-pyrazole-1-acetamide, n-(acetyloxy)-4,5-dihydro-3-nitro-, (r-(r*,s*-(e)))-
  • [2-(3-nitro-4,5-dihydropyrazol-1-yl)ethanoylamino] ethanoate
  • [[2-(3-nitro-4,5-dihydropyrazol-1-yl)acetyl]amino] acetate
  • acetic acid [[2-(3-nitro-4,5-dihydropyrazol-1-yl)-1-oxoethyl]amino] ester
  • acetic acid [[2-(3-nitro-4,5-dihydropyrazol-1-yl)acetyl]amino] ester
  • djw 77
  • djw-77
CAS Number(s)
  • 93677-01-1
InChIKey UAYROHFAGRPECI-UHFFFAOYSA-N
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