AG005T5Q

951655-50-8 | 3-Chloro-2-hydroxyphenylboronic acid

AG005T5Q

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CAS Number	951655-50-8
Catalog Number	AG005T5Q(AGN-PC-07ATT7)
Chemical Name	3-Chloro-2-hydroxyphenylboronic acid
IUPAC Name	(3-chloro-2-hydroxyphenyl)boronic acid
InChI	InChI=1S/C6H6BClO3/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,9-11H
InChI Key	UCAKTFSAEMHJJE-UHFFFAOYSA-N
MDL Number	MFCD08689551
Molecular Formula	C6H6BClO3
Molecular Weight	172.3740
SMILES	OC1=C(Cl)C=CC=C1B(O)O
Synonyms	3-Chloro-2-hydroxyphenylboronic acid, 951655-50-8, (3-Chloro-2-hydroxyphenyl)boronic acid, 3-CHLORO-2-HYDROXYPHENYL BORONIC ACID, ACMC-209rv2, SCHEMBL215780, BORONIC ACID, B-(3-CHLORO-2-HYDROXYPHENYL)-, CTK5H7438, DTXSID50668952, UCAKTFSAEMHJJE-UHFFFAOYSA-N, ANW-40380, FCH862406, MFCD08689551, AKOS006289759, ZINC169748152, AB48275, RTR-029660, AK-59634, BC001888, AB0043254, AX8216827, Boronicacid,B-(3-chloro-2-hydroxyphenyl)-, DB-015994, TR-029660, FT-0768887, ST24034345, Z1159, B-3967, B-(3-CHLORO-2-HYDROXYPHENYL)-BORONIC ACID, I04-2595, C6H6BClO3, ACN-032538, 3-Chloro-2-hydroxymethylphenylboronic acid,

Complexity	133
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	172.01g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	172.371g/mol
Monoisotopic Mass	172.01g/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	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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