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

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Properties Simple | Detailed

Formula C14H15Cl2NO3
IUPAC Name (1r,2s)-2-[(3,5-dichlorophenyl)carbamoyl]cyclohexanecarboxylic acid
Molecular Mass 316.180 g·mol−1
Heat of Formation -616.2 ± 16.7 kJ·mol−1
Dipole Moment 5.28 ± 1.08 D
Volume 342.02 Å 3
Surface Area 303.15 Å 2
HOMO Energy -9.39 ± 0.55 eV
LUMO Energy -0.60 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2s)-2-[(3,5-dichlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
  • (1r,2s)-2-[[(3,5-dichlorophenyl)amino]-oxomethyl]-1-cyclohexanecarboxylic acid
InChIKey VSMUYYFJVFSVCA-NWDGAFQWSA-N
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Elements H C N O Cl