(1S,2R)-2-[(3,5-Dichlorophenyl)Carbamoyl]Cyclohexanecarboxylic Acid

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Properties Simple | Detailed

Formula C14H15Cl2NO3
IUPAC Name (1s,2r)-2-[(3,5-dichlorophenyl)carbamoyl]cyclohexanecarboxylic acid
Molecular Mass 316.180 g·mol−1
Heat of Formation -620.8 ± 16.7 kJ·mol−1
Dipole Moment 5.60 ± 1.08 D
Volume 343.93 Å 3
Surface Area 305.58 Å 2
HOMO Energy -9.38 ± 0.55 eV
LUMO Energy 2.40 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,2r)-2-[(3,5-dichlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
  • (1s,2r)-2-[[(3,5-dichlorophenyl)amino]-oxomethyl]-1-cyclohexanecarboxylic acid
InChIKey VSMUYYFJVFSVCA-NEPJUHHUSA-N
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Elements H C N O Cl