AG004K5X

861931-38-6 | 4-Fluoro-2-(methylthio)phenylboronic acid

AG004K5X

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CAS Number	861931-38-6
Catalog Number	AG004K5X(AGN-PC-09PZ3B)
Chemical Name	4-Fluoro-2-(methylthio)phenylboronic acid
IUPAC Name	(4-fluoro-2-methylsulfanylphenyl)boronic acid
InChI	InChI=1S/C7H8BFO2S/c1-12-7-4-5(9)2-3-6(7)8(10)11/h2-4,10-11H,1H3
InChI Key	BAPCTRHEOVOYPW-UHFFFAOYSA-N
MDL Number	MFCD18087696
Molecular Formula	C7H8BFO2S
Molecular Weight	186.0116
SMILES	OB(C1=CC=C(F)C=C1SC)O
Synonyms	4-Fluoro-2-(methylthio)phenylboronic acid, 861931-38-6, ACMC-209q8x, SCHEMBL1359056, CTK5F6355, DTXSID60681733, BAPCTRHEOVOYPW-UHFFFAOYSA-N, ANW-38287, MFCD18087696, AKOS015853478, ZINC169934735, FCH1156239, PC412456, TR-038043, V8172, (4-fluoro-2-methylsulfanyl-phenyl)boronic acid, 2-Methylsulfanyl-4-fluoro-benzene boronic acid, B-4805, [4-Fluoro-2-(methylsulfanyl)phenyl]boronic acid, Boronic acid, B-[4-fluoro-2-(methylthio)phenyl]-, I04-2826, C7H8BFO2S,

Complexity	147
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	186.032g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	186.007g/mol
Monoisotopic Mass	186.032g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	65.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H332
Packing Group
Precautionary statements	P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501
UN Code

Certificate of Analysis

Lot Number