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CAS Number: 820236-81-5
methyl 2-bromo-6-fluorobenzoate

Structure

methyl 2-bromo-6-fluorobenzoate
Name: methyl 2-bromo-6-fluorobenzoate
Synonyms:
General Information
Product Number: 820236815
CAS Registry Number:
820236-81-5
Name:
Benzoic acid, 2-bromo-6-fluoro-, methyl ester
 
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)7-5(9)3-2-4-6(7)10/h2-4H,1H3
InChIKey: TZQFXIYFLBBLQJ-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=C(C=CC=C1Br)F
MDL Number: MFCD10000922.

Specification

98%

References
  1. (1) Heiss, Christophe; Synthesis 2005, (4), P617-621 CAPLUS
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