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CAS Number: 57381-59-6
methyl 5-bromo-2-fluorobenzoate

Structure

methyl 5-bromo-2-fluorobenzoate
Name: methyl 5-bromo-2-fluorobenzoate
Synonyms:
General Information
Product Number: 57381596
CAS Registry Number:
57381-59-6
Name:
Benzoic acid, 5-​bromo-​2-​fluoro-​, methyl ester
5-​Bromo-​2-​fluorobenzoic acid methyl ester; Methyl 5-​bromo-​2-​fluorobenzoate 
 
Chemical Formula: C8H6BrFO2
Exact Mass: 231.95
Molecular Weight: 233.03
m/z: 231.95 (100.0%), 233.95 (97.3%), 232.96 (8.8%), 234.95 (8.4%)
Elemental Analysis: C, 41.23; H, 2.60; Br, 34.29; F, 8.15; O, 13.73
 
InChI: InChI=1S/C8H6BrFO2/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4H,1H3
InChIKey: DXOPSTSVRPCTOS-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=C(C=CC(=C1)Br)F

Specification

98%

References
  1. (1) Kubota, Dai; Bioorganic & Medicinal Chemistry 2006, V14(12), P4158-4181 CAPLUS
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