2-(Trifluoromethyl)Benzoic Acid

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Properties Simple | Detailed

Formula C8H5F3O2
IUPAC Name 2-(trifluoromethyl)benzoic acid
Molecular Mass 190.119 g·mol−1
Heat of Formation -936.8 ± 16.7 kJ·mol−1
Dipole Moment 3.50 ± 1.08 D
Volume 185.98 Å 3
Surface Area 180.98 Å 2
HOMO Energy -10.82 ± 0.55 eV
LUMO Energy 1.73 ± eV
Point Group Symmetry C1
Synonyms
  • (trifluoromethyl)benzoic acid
  • .alpha.,.alpha.,.alpha.-trifluoro-o-toluic acid
  • 2-carboxybenzotrifluoride
  • 2-trifluoromethylbenzoic acid
  • a,a,a-trifluoro-o-toluic acid
  • alpha,alpha,alpha-trifluoro-o-toluic acid
  • enamine_005364
  • jrd-0667
CAS Number(s)
  • 137938-95-5
  • 433-97-6
  • 71990-01-7
InChIKey FBRJYBGLCHWYOE-UHFFFAOYSA-N
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