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CAS Number: 1083181-36-5
methyl 4-bromo-2-(cyanomethyl)benzoate

Structure

methyl 4-bromo-2-(cyanomethyl)benzoate
Name: methyl 4-bromo-2-(cyanomethyl)benzoate
Synonyms:
General Information
Product Number: 1083181365

CAS Registry Number 1083181-36-5
Name:
Benzoic acid, 4-​bromo-​2-​(cyanomethyl)​-​, methyl ester

 

Chemical Formula: C10H8BrNO2
Exact Mass: 252.97
Molecular Weight: 254.08
m/z: 252.97 (100.0%), 254.97 (97.3%), 253.98 (11.0%), 255.98 (10.7%)

 

InChI:InChI=1S/C10H8BrNO2/c1-14-10(13)9-3-2-8(11)6-7(9)4-5-12/h2-3,6H,4H2,1H3

InChI Key:OXXCXDQCAGYFQM-UHFFFAOYSA-N

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

Specification

98%

References
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