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CAS Number: 957121-05-0
(3-cyano-2-fluorophenyl)boronic acid

Structure

(3-cyano-2-fluorophenyl)boronic acid
Name: (3-cyano-2-fluorophenyl)boronic acid
Synonyms:
General Information
Product Number: 957121050

CAS Registry Number 957121-05-0
Name:
Boronic acid, B-​(3-​cyano-​2-​fluorophenyl)​-
3-Cyano-2-fluorophenylboronic acid

 

Chemical Formula: C7H5BFNO2
Exact Mass: 165.04
Molecular Weight: 164.93
m/z: 165.04 (100.0%), 164.04 (24.8%), 166.04 (8.0%), 165.05 (1.9%)

 

InChI:InChI=1S/C7H5BFNO2/c9-7-5(4-10)2-1-3-6(7)8(11)12/h1-3,11-12H

InChI Key:HENIWPFEWBREIB-UHFFFAOYSA-N

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

Specification

98%

References

PCT Int. Appl. (2014), WO 2014114532 A1 20140731.                                  

Journal of Medicinal Chemistry (2015), 58(1), 419-432.                                  

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