4-(Trifluoromethyl)Benzoic Acid

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Properties Simple | Detailed

Formula C8H5F3O2
IUPAC Name 4-(trifluoromethyl)benzoic acid
Molecular Mass 190.119 g·mol−1
Heat of Formation -940.8 ± 16.7 kJ·mol−1
Dipole Moment 1.90 ± 1.08 D
Volume 191.24 Å 3
Surface Area 189.59 Å 2
HOMO Energy -10.82 ± 0.55 eV
LUMO Energy -1.51 ± eV
Point Group Symmetry Cs
Synonyms
  • .alpha.,.alpha.,.alpha.-trifluoro-p-toluic acid
  • 4-carboxybenzotrifluoride
  • 4-trifluoromethylbenzoic acid
  • alpha,alpha,alpha-trifluoro-p-toluic acid
  • benzoic acid, 4-(trifluoromethyl)-
  • enamine_005626
  • jrd-0668
CAS Number(s)
  • 455-24-3
InChIKey SWKPKONEIZGROQ-UHFFFAOYSA-N
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Elements H C O F