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CAS Number: 131001-86-0
methyl 2-bromo-3-methylbenzoate

Structure

methyl 2-bromo-3-methylbenzoate
Name: methyl 2-bromo-3-methylbenzoate
Synonyms:
General Information
Product Number: 131001860

CAS Registry Number 131001-86-0
Name:
Benzoic acid, 2-​bromo-​3-​methyl-​, methyl ester
2-Bromo-3-methylbenzoic acid methyl ester
3-Methyl-2-bromobenzoic acid methyl ester
Methyl 2-bromo-3-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/c1-6-4-3-5-7(8(6)10)9(11)12-2/h3-5H,1-2H3

InChI Key:QAOFGUXVDAZKBW-UHFFFAOYSA-N

Canonical SMILES:CC1=CC=CC(=C1Br)C(=O)OC

Specification

98%

References
  1. (1) Schulte, Birte; Tetrahedron 2008, V64(52), P11852-11859 CAPLUS
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