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CAS Number: 453566-14-8
3-bromo-5-cyanobenzoic acid

Structure

3-bromo-5-cyanobenzoic acid
Name: 3-bromo-5-cyanobenzoic acid
Synonyms:
General Information
Product Number: 453566148

CAS Registry Number 453566-14-8
Name:
Benzoic acid, 3-​bromo-​5-​cyano-
3-Bromo-5-cyanobenzoic acid

 

Chemical Formula: C8H4BrNO2
Exact Mass: 224.94
Molecular Weight: 226.03
m/z: 224.94 (100.0%), 226.94 (97.3%), 227.94 (8.9%), 225.95 (8.8%)

 

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

InChI Key:QJJKUQVSSJSXLJ-UHFFFAOYSA-N

Canonical SMILES:C1=C(C=C(C=C1C(=O)O)Br)C#N

Specification

98%

References

PCT Int. Appl. (2013), WO 2013103760 A1 20130711.

PCT Int. Appl. (2013), WO 2013037705 A2 20130321.

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