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CAS Number: 359629-91-7
ethyl 5-bromo-2-methylbenzoate

Structure

ethyl 5-bromo-2-methylbenzoate
Name: ethyl 5-bromo-2-methylbenzoate
Synonyms:
General Information
Product Number: 359629917
CAS Registry Number: 359629-91-7
Name:
        Benzoic acid, 5-​bromo-​2-​methyl-​, ethyl ester
        3-​Bromo-​6-​methylbenzoic acid ethyl ester; 5-​Bromo-​2-​methylbenzoic acid ethyl ester; Ethyl 5-​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)9-6-8(11)5-4-7(9)2/h4-6H,3H2,1-2H3
InChIKey: NHMJLUHCYZHKMO-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=C(C=CC(=C1)Br)C

Specification

98%

References
  1. (1) Song, Kwang-Seop; ACS Medicinal Chemistry Letters 2011, V2(2), P182-187 CAPLUS
  2. (2) Shi, Yongheng; Chinese Journal of Chemistry 2011, V29(6), P1192-1198 CAPLUS
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