2-{[3,5-Difluoro-3'-(Trifluoromethoxy)-4-Biphenylyl]Carbamoyl}-1-Cyclopentene-1-Carboxylic Acid

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Properties Simple | Detailed

Formula C20H14F5NO4
IUPAC Name 2-[[2,6-difluoro-4-[3-(trifluoromethoxy)phenyl]phenyl]carbamoyl]cyclopentene-1-carboxylic acid
Molecular Mass 427.321 g·mol−1
Heat of Formation -1507.3 ± 16.7 kJ·mol−1
Dipole Moment 4.45 ± 1.08 D
Volume 442.07 Å 3
Surface Area 395.74 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy 1.86 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[[[2,6-difluoro-4-[3-(trifluoromethoxy)phenyl]phenyl]amino]-oxomethyl]-1-cyclopentenecarboxylic acid
  • ilb
InChIKey VTGXLCZUWFYELR-UHFFFAOYSA-N
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