3-bromo-2-hydroxyphenylboronic acid

3-bromo-2-hydroxyphenylboronic acid

CAS: 89488-24-4

Formula: C6H6BBrO3

SMILES: OB(O)C1=CC=CC(Br)=C1O

IUPAC: (3-bromo-2-hydroxyphenyl)boronic acid

InChI: InChI=1S/C6H6BBrO3/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,9-11H

Composition: C (33.24%), H (2.79%), B (4.99%), Br (36.85%), O (22.14%)

Molar Mass: 216.83

Atom Count: 17

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	215.959337
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
InChIKey	WILLYOUMVYALAT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	40.21
Topological Polar Surface Area	60.69
Polarizability	17.09
Ring Count	1
Rotatable Bond Count	1

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