N#Cc1ccccc1B(O)O
CAS: 138642-62-3
Name: (2-cyanophenyl)boronic acid
SMILES: N#Cc1ccccc1B(O)O

Molecular Processing

Molecular formula
C7H6BNO2
Molecular weight
146.94
Exact mass
147.0492
XLogP
-0.76
TPSA
64.25
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0
Molar refractivity
40.98

Supplementary Information

InChIKey: NPLZNDDFVCGRAG-UHFFFAOYSA-N
Synonyme
2-Cyanophenylboronic acid138642-62-3DTXSID00370391RefChem:86584DTXCID20321426604-090-8(2-cyanophenyl)boronic Acid2-Cyanobenzeneboronic AcidBoronic acid, B-(2-cyanophenyl)-MFCD01632208Boronic acid, (cyanophenyl)-2-(Dihydroxyboranyl)Benzonitrile2-Cyanobenzeneboronic Acid; 2-Cyanophenylboronic Acid; [m-Cyanophenyl-4-yl]boronic acid; B-(2-Cyanophenyl)boronic Acid[M-CYANOPHENYL-4-YL]BORONIC ACID2-cyano-phenylboronic acid2-cyanophenyl boronic acid(2-cyanophenyl)boronicAcid2-Cyanobenzene boronic acid2-(cyano)phenylboronic acid2-cyano phenyl boronic acid2-cyano-phenyl boronic acid2-cyano-phenyl-boronic acidSCHEMBL11608B-(2-Cyanophenyl)boronic acid62Y33C8JKZorb2940214SCHEMBL29468918CS-D1705SBB063238TYD-00364
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