4-Cyano-3-(trifluoromethyl)benzoic acid

CAS Registry Number®

1227502-36-4
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CAS Name

4-Cyano-3-(trifluoromethyl)benzoic acid

Molecular Formula

C9H4F3NO2

Molecular Mass

215.13

Cite this Page

4-Cyano-3-(trifluoromethyl)benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1227502-36-4 (retrieved 2024-09-08) (CAS RN: 1227502-36-4).  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)7-3-5(8(14)15)1-2-6(7)4-13/h1-3H,(H,14,15)

InChIKey

InChIKey=MLKHYEZBRDXLEK-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzoic acid, 4-cyano-3-(trifluoromethyl)-
  • 4-Cyano-3-(trifluoromethyl)benzoic acid