AG002C9Y

199659-23-9 | 5-Chlorothiophene-3-boronic acid

AG002C9Y

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CAS Number	199659-23-9
Catalog Number	AG002C9Y(AGN-PC-03X8N3)
Chemical Name	5-Chlorothiophene-3-boronic acid
IUPAC Name	(5-chlorothiophen-3-yl)boronic acid
InChI	InChI=1S/C4H4BClO2S/c6-4-1-3(2-9-4)5(7)8/h1-2,7-8H
InChI Key	DKYYLYWTTBGVKE-UHFFFAOYSA-N
MDL Number	MFCD06796321
Molecular Formula	C4H4BClO2S
Molecular Weight	162.4024
SMILES	OB(C1C=C(Cl)SC=1)O
Synonyms	199659-23-9, (5-CHLOROTHIOPHEN-3-YL)BORONIC ACID, 5-CHLOROTHIOPHENE-3-BORONIC ACID, Boronic acid, (5-chloro-3-thienyl)- (9CI), 5-Chlorothiophen-3-yl-3-boronic acid, J-501578, SCHEMBL2403742, CTK0H4086, DTXSID00629659, 5-Chloro-3-thiophene boronic acid, FCH832136, MFCD06796321, AKOS004115158, ZINC169844741, AB29389, RP02266, DB-066011, FT-0734076, Y8149, I14-39425, C4H4BClO2S,

Complexity	103
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	161.971g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	162.394g/mol
Monoisotopic Mass	161.971g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	68.7A^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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