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CAS Number: 849758-12-9
methyl 4-bromo-3-fluorobenzoate

Structure

methyl 4-bromo-3-fluorobenzoate
Name: methyl 4-bromo-3-fluorobenzoate
Synonyms:
General Information
Product Number: 849758129
CAS Registry Number: 849758-12-9
Name:
Benzoic acid, 4-​bromo-​3-​fluoro-​, methyl ester
4-​Bromo-​3-​fluorobenzoic acid methyl ester; Methyl 4-​bromo-​3-​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)5-2-3-6(9)7(10)4-5/h2-4H,1H3
InChIKey: WDAFDKXHLVMFKA-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=CC(=C(C=C1)Br)F

Specification

98%

References

PCT Int. Appl. (2014), WO 2014089364 A1 20140612.

PCT Int. Appl. (2014), WO 2014025942 A1 20140213.

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