3-{[3,5-Difluoro-3'-(Trifluoromethoxy)-4-Biphenylyl]Carbamoyl}-2-Thiophenecarboxylic Acid

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Properties Simple | Detailed

Formula C19H10F5NO4S
IUPAC Name 3-[[2,6-difluoro-4-[3-(trifluoromethoxy)phenyl]phenyl]carbamoyl]thiophene-2-carboxylic acid
Molecular Mass 443.344 g·mol−1
Heat of Formation -1419.1 ± 16.7 kJ·mol−1
Dipole Moment 5.37 ± 1.08 D
Volume 440.22 Å 3
Surface Area 388.57 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy -1.63 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[[2,6-difluoro-4-[3-(trifluoromethoxy)phenyl]phenyl]carbamoyl]-2-thenoic acid
  • 3-[[[2,6-difluoro-4-[3-(trifluoromethoxy)phenyl]phenyl]amino]-oxomethyl]-2-thiophenecarboxylic acid
InChIKey CGNHUSCKOHDSMR-UHFFFAOYSA-N
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