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CAS Number: 220389-34-4
ethyl 4-bromo-2-methylbenzoate

Structure

ethyl 4-bromo-2-methylbenzoate
Name: ethyl 4-bromo-2-methylbenzoate
Synonyms:
General Information
Product Number: 220389344
CAS Registry Number:
220389-34-4
Name:
Benzoic acid, 4-bromo-2-methyl-, ethyl ester
4-Bromo-2-methylbenzoic acid ethyl ester; Ethyl 4-bromo-2-methylbenzoate 
 
Chemical Formula: C10H11BrO2
Exact Mass: 241.99
Molecular Weight: 243.10
m/z: 241.99 (100.0%), 243.99 (97.3%), 243.00 (11.0%), 245.00 (10.8%)
Elemental Analysis: C, 49.41; H, 4.56; Br, 32.87; O, 13.16
 
InChI: InChI=1S/C10H11BrO2/c1-3-13-10(12)9-5-4-8(11)6-7(9)2/h4-6H,3H2,1-2H3
InChIKey: UWDMTHJPTMJZNG-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=C(C=C(C=C1)Br)C

Specification

98%

References
  1. (1) Lund, Birgitte W.; Journal of Medicinal Chemistry 2009, V52(6), P1540-1545 CAPLUS
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