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CAS Number: 453566-15-9
methyl 3-bromo-5-cyanobenzoate

Structure

methyl 3-bromo-5-cyanobenzoate
Name: methyl 3-bromo-5-cyanobenzoate
Synonyms:
General Information
Product Number: 453566159

CAS Registry Number 453566-15-9
Name:
Benzoic acid, 3-​bromo-​5-​cyano-​, methyl ester
Methyl 3-bromo-5-cyanobenzoate

 

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)7-2-6(5-11)3-8(10)4-7/h2-4H,1H3

InChI Key:DNNTVDNUUQKALF-UHFFFAOYSA-N

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

Specification

98%

References

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

PCT Int. Appl. (2002), WO 2002068417 A2 20020906.

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