Triflusal

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Properties Simple | Detailed

Formula C10H7F3O4
IUPAC Name 2-acetoxy-4-(trifluoromethyl)benzoic acid
Molecular Mass 248.155 g·mol−1
Heat of Formation -1304.1 ± 16.7 kJ·mol−1
Dipole Moment 2.94 ± 1.08 D
Volume 246.03 Å 3
Surface Area 232.0 Å 2
HOMO Energy -10.31 ± 0.55 eV
LUMO Energy 1.48 ± eV
Point Group Symmetry C1
Synonyms
  • 2,4-cresotic acid, alpha,alpha,alpha-trifluoro-, acetate
  • 2-(acetyloxy)-4-(trifluoromethyl)benzoic acid
  • 2-acetoxy-4-trifluoromethylbenzoic acid
  • 2-acetyloxy-4-(trifluoromethyl)benzoic acid
  • 3-acetoxy-alpha,alpha,alpha-trifluoro-p-toluic acid
  • 4-trifluoromethylsalicylic acid acetate
  • alpha,alpha,alpha-trifluoro-2,4-creosotic acid acetate
  • alpha,alpha,alpha-trifluoro-2,4-cresotic acid acetate
  • benzoic acid, 2-(acetyloxy)-4-(trifluoromethyl)- (9ci)
  • bpbio1_000567
  • disgren
  • tecnosal
  • triflux
  • ur 1501
  • ur-1501
CAS Number(s)
  • 322-79-2
InChIKey RMWVZGDJPAKBDE-UHFFFAOYSA-N
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