3-(Trifluoromethyl)Benzoic Acid

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Properties Simple | Detailed

Formula C8H5F3O2
IUPAC Name 3-(trifluoromethyl)benzoic acid
Molecular Mass 190.119 g·mol−1
Heat of Formation -942.3 ± 16.7 kJ·mol−1
Dipole Moment 4.06 ± 1.08 D
Volume 191.07 Å 3
Surface Area 189.73 Å 2
HOMO Energy -10.90 ± 0.55 eV
LUMO Energy 1.68 ± eV
Point Group Symmetry Cs
Synonyms
  • .alpha.,.alpha.,.alpha.-trifluoro-m-toluic acid
  • 3-carboxybenzotrifluoride
  • 3-trifluoromethylbenzoate
  • 3-trifluoromethylbenzoic acid
  • alpha,alpha,alpha-tri-fluoro-m-toluic acid
  • alpha,alpha,alpha-trifluoro-m-toluic acid
  • ao-801/41077429
  • benzoic acid, 3-(trifluoromethyl)-
  • benzoic acid, 3-(trifluoromethyl)- (9ci)
  • jrd-0051
  • m-(trifluoromethyl)benzoic acid
  • m-toluic acid, .alpha.,.alpha.,.alpha.-trifluoro-
  • m-toluic acid, alpha,alpha,alpha-trifluoro- (8ci)
CAS Number(s)
  • 454-92-2
InChIKey FQXQBFUUVCDIRK-UHFFFAOYSA-N
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