2-({[3-(Trifluoromethyl)Phenyl]Carbamoyl}Amino)Benzoic Acid

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Properties Simple | Detailed

Formula C15H11F3N2O3
IUPAC Name 2-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzoic acid
Molecular Mass 324.255 g·mol−1
Heat of Formation -1031.3 ± 16.7 kJ·mol−1
Dipole Moment 4.12 ± 1.08 D
Volume 334.69 Å 3
Surface Area 314.53 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy 1.93 ± eV
Point Group Symmetry C1
Synonyms
  • 2-({[3-(trifluoromethyl)anilino]carbonyl}amino)benzoic acid
  • 2-[[oxo-[[3-(trifluoromethyl)phenyl]amino]methyl]amino]benzoic acid
InChIKey CTNQAPPDQTYTHM-UHFFFAOYSA-N
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