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CAS Number: 505083-04-5
(3-fluoro-4-(methoxycarbonyl)phenyl)boronic acid

Structure

(3-fluoro-4-(methoxycarbonyl)phenyl)boronic acid
Name: (3-fluoro-4-(methoxycarbonyl)phenyl)boronic acid
Synonyms:
General Information
Product Number: 505083045

CAS Registry Number 505083-04-5
Name:
Benzoic acid, 4-​borono-​2-​fluoro-​, 1-​methyl ester
3-Fluoro-4-methoxycarbonyl-benzeneboronic acid
[3-Fluoro-4-(methoxycarbonyl)phenyl]boronic acid

 

Chemical Formula: C8H8BFO4
Exact Mass: 198.05
Molecular Weight: 197.96
m/z: 198.05 (100.0%), 197.05 (24.8%), 199.05 (8.8%), 198.06 (2.2%)

 

InChI:InChI=1S/C8H8BFO4/c1-14-8(11)6-3-2-5(9(12)13)4-7(6)10/h2-4,12-13H,1H3

InChI Key:YZYGXFXSMDUXJT-UHFFFAOYSA-N

Canonical SMILES:B(C1=CC(=C(C=C1)C(=O)OC)F)(O)O

Specification

98%

References
  1. (1) Imanishi, Masashi; Journal of Medicinal Chemistry 2008, V51(6), P1925-1944 CAPLUS
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