4-{[(2-Chloro-4,5-Difluorobenzoyl)Carbamoyl]Amino}-3-(Trifluoromethoxy)Benzoic Acid

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Properties Simple | Detailed

Formula C16H8ClF5N2O5
IUPAC Name 4-[(2-chloro-4,5-difluoro-benzoyl)carbamoylamino]-3-(trifluoromethoxy)benzoic acid
Molecular Mass 438.690 g·mol−1
Heat of Formation -1740.8 ± 16.7 kJ·mol−1
Dipole Moment 3.00 ± 1.08 D
Volume 420.24 Å 3
Surface Area 375.96 Å 2
HOMO Energy -9.79 ± 0.55 eV
LUMO Energy -1.61 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[(2-chloro-4,5-difluoro-phenyl)carbonylcarbamoylamino]-3-(trifluoromethoxy)benzoic acid
  • 4-[(2-chloro-4,5-difluorobenzoyl)carbamoylamino]-3-(trifluoromethoxy)benzoic acid
  • 4-[[[[(2-chloro-4,5-difluorophenyl)-oxomethyl]amino]-oxomethyl]amino]-3-(trifluoromethoxy)benzoic acid
InChIKey NWQGDIBCFLDHDO-UHFFFAOYSA-N
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Elements C F H Cl O N