2-Chlorophenylboronic Acid
Product Information
Molecular Formula
C6H6ClO2B
Molecular Weight
156.37
Description
2-Chlorophenylboronic Acid used in the preparation of imidazo[1,2-a]pyridine amides which has tuberculostatic activity.
Synonyms
(2-chlorophenyl)boronic acid; (2-chlorophenyl)boronic acid
IUPAC Name
(2-chlorophenyl)boronic acid
SMILES
B(C1=CC=CC=C1Cl)(O)O
InChI
InChI=1S/C6H6BClO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4,9-10H
InChI Key
RRCMGJCFMJBHQC-UHFFFAOYSA-N
Boiling Point
306.3 °C at 760 mmHg
Melting Point
92-102 °C (lit.)
Flash Point
Not applicable
Purity
≥ 95.0 %
Density
1.32 g/cm3
LogP
0.01980
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
156.0149373 g/mol
Monoisotopic Mass
156.0149373 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
110
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
