5-Bromo-2-cyanobenzoic acid

CAS Registry Number®

1032231-28-9

CAS Name

5-Bromo-2-cyanobenzoic acid

Molecular Formula

C8H4BrNO2

Molecular Mass

226.03

Cite this Page

5-Bromo-2-cyanobenzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1032231-28-9 (retrieved 2024-11-22) (CAS RN: 1032231-28-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    169-171 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H4BrNO2/c9-6-2-1-5(4-10)7(3-6)8(11)12/h1-3H,(H,11,12)

InChIKey

InChIKey=HELBBGLIOALLAF-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzoic acid, 5-bromo-2-cyano-
  • 5-Bromo-2-cyanobenzoic acid
  • 4-Bromo-2-carboxybenzonitrile

CAS INSIGHTSTM
Targeted protein degrader structure, illustration