5-Bromo-2-cyanobenzoic acid
CAS Registry Number®
1032231-28-9
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CAS Name
5-Bromo-2-cyanobenzoic acidMolecular Formula
C8H4BrNO2Molecular Mass
226.03Cite this Page
5-Bromo-2-cyanobenzoic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=1032231-28-9 (retrieved ) (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
