Benzoic acid, 4-chloro-3-(1-cyano-1-methylethyl)-, methyl ester

CAS Registry Number®

872091-86-6

CAS Name

Benzoic acid, 4-chloro-3-(1-cyano-1-methylethyl)-, methyl ester

Molecular Formula

C12H12ClNO2

Molecular Mass

237.68

Cite this Page

Benzoic acid, 4-chloro-3-(1-cyano-1-methylethyl)-, methyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=872091-86-6 (retrieved 2025-08-14) (CAS RN: 872091-86-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H12ClNO2/c1-12(2,7-14)9-6-8(11(15)16-3)4-5-10(9)13/h4-6H,1-3H3

InChIKey

InChIKey=QNDXINGTBSNIKN-UHFFFAOYSA-N

SMILES

C(C#N)(C)(C)C1=CC(C(OC)=O)=CC=C1Cl

Canonical SMILES

N#CC(C1=CC(=CC=C1Cl)C(=O)OC)(C)C

Other Names for this Substance

  • Benzoic acid, 4-chloro-3-(1-cyano-1-methylethyl)-, methyl ester
  • Methyl 4-chloro-3-(1-cyano-1-methylethyl)benzoate
  • 4-Chloro-3-(1-cyano-1-methylethyl)benzoic acid methyl ester

CAS INSIGHTSTM
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