Benzoic acid, 3-chloro-5-cyano-, methyl ester

CAS Registry Number®

327056-72-4

CAS Name

Benzoic acid, 3-chloro-5-cyano-, methyl ester

Molecular Formula

C9H6ClNO2

Molecular Mass

195.60

Cite this Page

Benzoic acid, 3-chloro-5-cyano-, methyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=327056-72-4 (retrieved 2024-11-25) (CAS RN: 327056-72-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C9H6ClNO2/c1-13-9(12)7-2-6(5-11)3-8(10)4-7/h2-4H,1H3

InChIKey

InChIKey=JCOFSHLLQXPNDX-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

N#CC1=CC(Cl)=CC(=C1)C(=O)OC

Other Names for this Substance

  • Benzoic acid, 3-chloro-5-cyano-, methyl ester
  • Methyl 3-chloro-5-cyanobenzoate

CAS INSIGHTSTM
Hourglass and a clock