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CAS Number: 85953-29-3
methyl 2-chloro-4-fluorobenzoate

Structure

methyl 2-chloro-4-fluorobenzoate
Name: methyl 2-chloro-4-fluorobenzoate
Synonyms:
General Information
Product Number: 85953293

CAS Registry Number 85953-29-3
Name:
Benzoic acid, 2-​chloro-​4-​fluoro-​, methyl ester
2-Chloro-4-fluorobenzoic acid methyl ester
4-Fluoro-2-chlorobenzoic acid methyl ester
Methyl 2-chloro-4-fluorobenzoate

 

Chemical Formula: C8H6ClFO2
Exact Mass: 188.00
Molecular Weight: 188.58
m/z: 188.00 (100.0%), 190.00 (32.0%), 189.01 (8.8%), 191.00 (2.8%)

 

InChI:InChI=1S/C8H6ClFO2/c1-12-8(11)6-3-2-5(10)4-7(6)9/h2-4H,1H3

InChI Key:YZDLPZNWBRBZMZ-UHFFFAOYSA-N

Canonical SMILES:COC(=O)C1=C(C=C(C=C1)F)Cl

Specification

98%

References
  1. (1) Tsukamoto, Issei; Bioorganic & Medicinal Chemistry 2008, V16(21), P9524-9535 CAPLUS
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