B(C1=CC(=CC=C1)Cl)(O)O
CAS: 63503-60-6
Name: (3-chlorophenyl)boronic acid
SMILES: B(C1=CC(=CC=C1)Cl)(O)O

Molecular Processing

Molecular formula
C6H6BClO2
Molecular weight
156.38
Exact mass
156.0149
XLogP
0.02
TPSA
40.46
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
10
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
41.28

Supplementary Information

InChIKey: SDEAGACSNFSZCU-UHFFFAOYSA-N
Synonyme
(3-chlorophenyl)boronic acidRefChem:400104628-786-63-Chlorophenylboronic acid63503-60-63-chlorobenzeneboronic acid3-chlorophenyl boronic acid3-ChlorophenylboronicacidMFCD00161354m-chlorophenylboronic acidB-(3-chlorophenyl)-boronic acid3-Chlorophenylboronic acid (contains varying amounts of Anhydride)Boronic acid, (3-chlorophenyl)-B-(3-Chlorophenyl)boronic Acid; (3-Chlorophenyl)boronic Acid; (m-Chlorophenyl)boronic Acid; 3-Chlorobenzeneboronic Acid; m-Chlorobenzeneboronic AcidVismodegib Impurity 103-chlorphenylboronic acid3-chiorophenylboronic acidm-chlorophenyl boronic acid3-chloro phenylboronic acid3-chloro-phenylboronic acid3-chlorophenyl-boronic acid5-chlorophenyl-boronic acid3-chlorobenzene boronic acidSCHEMBL118153-(chloro)phenylboronic acid3-chloro phenyl boronic acid3-chloro-phenyl boronic acid3-chloro-phenyl-boronic acid(3-chlorophenyl) boronic acidCHEMBL164616
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