AG00152B

1214900-52-3 | Boronic acid, B-(3-chloro-5-hydroxyphenyl)-

AG00152B

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CAS Number	1214900-52-3
Catalog Number	AG00152B(AGN-PC-0WA8HR)
Chemical Name	Boronic acid, B-(3-chloro-5-hydroxyphenyl)-
IUPAC Name	(3-chloro-5-hydroxyphenyl)boronic acid
InChI	InChI=1S/C6H6BClO3/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,9-11H
InChI Key	BNQINYYEZBLUKO-UHFFFAOYSA-N
MDL Number	MFCD26743559
Molecular Formula	C6H6BClO3
Molecular Weight	172.3740
SMILES	OC1=CC(Cl)=CC(B(O)O)=C1
Synonyms	1214900-52-3, (3-Chloro-5-hydroxyphenyl)boronic acid, 3-CHLORO-5-HYDROXYPHENYLBORONIC ACID, ACMC-209abe, SCHEMBL2144215, CTK4B2387, DTXSID40681559, BNQINYYEZBLUKO-UHFFFAOYSA-N, ANW-17640, MFCD15143456, AKOS006332977, ZINC169933959, AB70644, AK-43779, DS-14253, TR-034519, CS-0043765, X1659, Boronic acid, B-(3-chloro-5-hydroxyphenyl)-, B-6663, I04-2568, C6H6BClO3,

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
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number