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CAS Number: 714237-95-3
methyl 5-bromo-2-cyanobenzoate

Structure

 methyl 5-bromo-2-cyanobenzoate
Name: methyl 5-bromo-2-cyanobenzoate
Synonyms:
General Information
Product Number: 714237953

CAS Registry Number 714237-95-3
Name:
Benzoic acid, 5-?bromo-?2-?cyano-?, methyl ester

 

Chemical Formula: C9H6BrNO2
Exact Mass: 238.96
Molecular Weight: 240.05
m/z: 238.96 (100.0%), 240.96 (98.1%), 239.96 (10.2%), 241.96 (9.6%)

 

InChI:InChI=1S/C9H6BrNO2/c1-13-9(12)8-4-7(10)3-2-6(8)5-11/h2-4H,1H3

InChI Key:JYCDKDCBYOOZLW-UHFFFAOYSA-N

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

Specification

98%
References

Bioorganic & Medicinal Chemistry (2015), 23(9), 2010-2023.                                  
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