5-(Bromomethyl)-2-cyanobenzoic acid

CAS Registry Number®

89540-21-6

CAS Name

5-(Bromomethyl)-2-cyanobenzoic acid

Molecular Formula

C9H6BrNO2

Molecular Mass

240.05

Cite this Page

5-(Bromomethyl)-2-cyanobenzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=89540-21-6 (retrieved 2024-09-27) (CAS RN: 89540-21-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C9H6BrNO2/c10-4-6-1-2-7(5-11)8(3-6)9(12)13/h1-3H,4H2,(H,12,13)

InChIKey

InChIKey=ASNVPKHVNUXRKU-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzoic acid, 5-(bromomethyl)-2-cyano-
  • 5-(Bromomethyl)-2-cyanobenzoic acid
  • 3-(Bromomethyl)-6-cyanobenzoic acid

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