2-Cyano-4-(trifluoromethyl)benzoic acid

CAS Registry Number®

779-16-8
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CAS Name

2-Cyano-4-(trifluoromethyl)benzoic acid

Molecular Formula

C9H4F3NO2

Molecular Mass

215.13

Cite this Page

2-Cyano-4-(trifluoromethyl)benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=779-16-8 (retrieved 2024-08-18) (CAS RN: 779-16-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C9H4F3NO2/c10-9(11,12)6-1-2-7(8(14)15)5(3-6)4-13/h1-3H,(H,14,15)

InChIKey

InChIKey=YQFNCIRXMGQFLW-UHFFFAOYSA-N

SMILES

C(#N)C1=C(C(O)=O)C=CC(C(F)(F)F)=C1

Canonical SMILES

N#CC1=CC(=CC=C1C(=O)O)C(F)(F)F

Other Names for this Substance

  • Benzoic acid, 2-cyano-4-(trifluoromethyl)-
  • p-Toluic acid, 2-cyano-α,α,α-trifluoro-
  • 2-Cyano-4-(trifluoromethyl)benzoic acid