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CAS Number: 58123-69-6
3-bromo-4-cyanobenzoic acid

Structure

3-bromo-4-cyanobenzoic acid
Name: 3-bromo-4-cyanobenzoic acid
Synonyms:
General Information
Product Number: 58123696

CAS Registry Number 58123-69-6
Name:
Benzoic acid, 3-​bromo-​4-​cyano-
3-Bromo-4-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/c9-7-3-5(8(11)12)1-2-6(7)4-10/h1-3H,(H,11,12)

InChI Key:WAFUFPLTXVDCNT-UHFFFAOYSA-N

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

Specification

98%

References

PCT Int. Appl. (2014), WO 2014184069 A1 20141120.

PCT Int. Appl. (2009), WO 2009055077 A1 20090430.                                  

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