AG006NKH

913835-71-9 | 2-CHLORO-5-HYDROXYBENZENEBORONIC ACID 98

AG006NKH

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CAS Number	913835-71-9
Catalog Number	AG006NKH(AGN-PC-07137O)
Chemical Name	2-CHLORO-5-HYDROXYBENZENEBORONIC ACID 98
IUPAC Name	(2-chloro-5-hydroxyphenyl)boronic acid
InChI	InChI=1S/C6H6BClO3/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3,9-11H
InChI Key	SLAPQAZQRNMJLC-UHFFFAOYSA-N
MDL Number	MFCD08689478
Molecular Formula	C6H6BClO3
Molecular Weight	172.3740
SMILES	OC1=CC=C(Cl)C(B(O)O)=C1
Synonyms	913835-71-9, (2-Chloro-5-hydroxyphenyl)boronic acid, 2-Chloro-5-hydroxyphenylboronic acid, 2-Chloro-5-hydroxybenzeneboronic acid, AK-93982, Boronicacid, B-(2-chloro-5-hydroxyphenyl)-, PubChem23700, ACMC-209r9w, SCHEMBL262997, CTK3I6558, DTXSID20657151, SLAPQAZQRNMJLC-UHFFFAOYSA-N, ZX-AT000876, ANW-39618, FCH919682, MFCD08689478, OR3314, 2-chloro-5-hydroxy-phenylboronic acid, 2-chloro-5-hydroxyphenyl boronic acid, AKOS006222937, ZINC169743976, AB48247, PS-9783, RTR-028664, SC-84160, AX8231344, Boronic acid, (2-chloro-5-hydroxyphenyl)-, TR-028664, FT-0687830, ST24020199, V9023, Boronic acid, B-(2-chloro-5-hydroxyphenyl)-, B-4810, 2-chloro-5-hydroxybenzeneboronic acid, AldrichCPR, C6H6BClO3, ACN-044223,

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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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