AG003WUL

89598-97-0 | (5-Bromo-2-hydroxyphenyl)boronic acid

AG003WUL

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CAS Number	89598-97-0
Catalog Number	AG003WUL(AGN-PC-0VP9JX)
Chemical Name	(5-Bromo-2-hydroxyphenyl)boronic acid
IUPAC Name	(5-bromo-2-hydroxyphenyl)boronic acid
InChI	InChI=1S/C6H6BBrO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9-11H
InChI Key	XSXTWLOHAGPBNO-UHFFFAOYSA-N
MDL Number	MFCD00093408
Molecular Formula	C6H6BBrO3
Molecular Weight	216.8250
SMILES	OC1=CC=C(Br)C=C1B(O)O
Synonyms	5-Bromo-2-hydroxyphenylboronic acid, 89598-97-0, (5-Bromo-2-hydroxyphenyl)boronic acid, 2-Borono-4-bromophenol, MFCD00093408, (5-BROMO-2-HYDROXY)BENZENEBORONIC ACID, ACMC-209r1x, AC1Q714D, SCHEMBL3610834, CTK5G3300, DTXSID30656973, ZX-AT010140, (5-bromo-2-hydroxyphenyl)boranediol, 5-Bromo-2-hydroxybenzeneboronic acid, ANW-39331, OR1920, AKOS015834775, ZINC169745629, AB03340, FCH1323697, BC001890, BP-11307, AX8046110, DB-057146, ST2414369, TR-028129, FT-0642132, Z1034, A-4681, BENZENEBORONIC ACID, 5-BROMO-2-HYDROXY-, C-27234, Benzeneboronic acid,5-bromo-2-hydroxy- (6CI,7CI), I04-1770, C6H6BBrO3,

Complexity	133
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	215.959g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	216.825g/mol
Monoisotopic Mass	215.959g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	60.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P280a-P304+P340-P305+P351+P338-P405-P501a
UN Code

Certificate of Analysis

Lot Number