4-chloro-2-hydroxyphenylboronic acid

4-chloro-2-hydroxyphenylboronic acid

CAS: 1238196-66-1

Formula: C6H6BClO3

SMILES: OB(O)C1=CC=C(Cl)C=C1O

IUPAC: (4-chloro-2-hydroxyphenyl)boronic acid

InChI: InChI=1S/C6H6BClO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9-11H

Composition: C (41.81%), H (3.51%), B (6.27%), Cl (20.57%), O (27.85%)

Molar Mass: 172.37

Atom Count: 17

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	172.009852
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
InChIKey	XBNRJKSGOLRSRX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	37.39
Topological Polar Surface Area	60.69
Polarizability	16.07
Ring Count	1
Rotatable Bond Count	1

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