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CAS Number: 6942-39-8
methyl 2-bromo-5-fluorobenzoate

Structure

methyl 2-bromo-5-fluorobenzoate
Name: methyl 2-bromo-5-fluorobenzoate
Synonyms:
General Information
Product Number: 6942398

CAS Registry Number 6942-39-8
Name:
Benzoic acid, 2-​bromo-​5-​fluoro-​, methyl ester
2-Bromo-5-fluorobenzoic acid methyl ester
Methyl 2-bromo-5-fluorobenzoate
Methyl 6-bromo-3-fluorobenzoate
NSC 57466

 

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%)

 

InChI:InChI=1S/C8H6BrFO2/c1-12-8(11)6-4-5(10)2-3-7(6)9/h2-4H,1H3

InChI Key:FCMQMRAFVRTHCR-UHFFFAOYSA-N

Canonical SMILES:COC(=O)C1=C(C=CC(=C1)F)Br

Specification

98%

References
  1. (1) BIORAD: Copyright Bio-Rad Laboratories. All Rights Reserved.
  2. (3) Ikeuchi, Yutaka; Journal of Organic Chemistry 2005, V70(11), P4354-4359 CAPLUS
  3. (5) Baker, Stephen J.; Journal of Labelled Compounds and Radiopharmaceuticals 2007, V50(4), P245-250 CAPLUS
  4. (6) Mousseau, James J.; Journal of the American Chemical Society 2010, V132(41), P14412-14414 CAPLUS
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