3-Cyano-5-(trifluoromethyl)benzoic acid

CAS Registry Number®

942077-16-9
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CAS Name

3-Cyano-5-(trifluoromethyl)benzoic acid

Molecular Formula

C9H4F3NO2

Molecular Mass

215.13

Cite this Page

3-Cyano-5-(trifluoromethyl)benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=942077-16-9 (retrieved 2024-06-26) (CAS RN: 942077-16-9).  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)7-2-5(4-13)1-6(3-7)8(14)15/h1-3H,(H,14,15)

InChIKey

InChIKey=CILFQQDMSXNYDM-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

N#CC=1C=C(C=C(C1)C(F)(F)F)C(=O)O

Other Names for this Substance

  • Benzoic acid, 3-cyano-5-(trifluoromethyl)-
  • 3-Cyano-5-(trifluoromethyl)benzoic acid

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