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CAS Number: 478375-40-5
methyl 3-bromo-5-methylbenzoate

Structure

 methyl 3-bromo-5-methylbenzoate
Name: methyl 3-bromo-5-methylbenzoate
Synonyms:
General Information
Product Number: 478375405

CAS Registry Number 478375-40-5
Name:
Benzoic acid, 3-?bromo-?5-?methyl-?, methyl ester
Methyl 3-bromo-5-methylbenzoate

 

Chemical Formula: C9H9BrO2
Exact Mass: 227.98
Molecular Weight: 229.07
m/z: 227.98 (100.0%), 229.98 (97.7%), 228.98 (9.9%), 230.98 (9.6%)

 

InChI:InChI=1S/C9H9BrO2/c1-6-3-7(9(11)12-2)5-8(10)4-6/h3-5H,1-2H3

InChI Key:OAOZBFUAVJUPED-UHFFFAOYSA-N

Canonical SMILES:CC1=CC(=CC(=C1)C(=O)OC)Br

Specification

98%
References

(1) Murphy, Jaclyn M.; Journal of the American Chemical Society 2007, V129(50), P15434-15435 CAPLUS
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