AG00GSYB

913836-01-8 | 5-(METHYLSULFONYL)-3-PYRIDINEBORONIC ACID

AG00GSYB

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CAS Number	913836-01-8
Catalog Number	AG00GSYB(AGN-PC-07138R)
Chemical Name	5-(METHYLSULFONYL)-3-PYRIDINEBORONIC ACID
IUPAC Name	(5-methylsulfonylpyridin-3-yl)boronic acid
InChI	InChI=1S/C6H8BNO4S/c1-13(11,12)6-2-5(7(9)10)3-8-4-6/h2-4,9-10H,1H3
InChI Key	YGXNPQDXWDCWET-UHFFFAOYSA-N
MDL Number	MFCD08689536
Molecular Formula	C6H8BNO4S
Molecular Weight	201.0080
SMILES	CS(=O)(=O)C=1C=C(C=NC1)B(O)O
Synonyms	913836-01-8, 5-(Methylsulphonyl)pyridine-3-boronic acid, 5-(Methylsulfonyl)pyridine-3-boronic acid, 5-(methylsulfonyl)-3-pyridineboronic acid, (5-(methylsulfonyl)pyridin-3-yl)boronic acid, Boronicacid, B-[5-(methylsulfonyl)-3-pyridinyl]-, MFCD08689536, (5-METHANESULFONYLPYRIDIN-3-YL)BORONIC ACID, [5-(methylsulfonyl)pyridin-3-yl]boronic acid, ACMC-209ram, B-[5-(methylsulfonyl)-3-pyridinyl]Boronic acid, SCHEMBL247773, CTK3I6410, (5-mesyl-3-pyridyl)boronic acid, DTXSID50657189, YGXNPQDXWDCWET-UHFFFAOYSA-N, ZX-AT001441, ANW-39644, OR3598, AKOS015852523, ZINC169744843, FCH1323681, PS-9403, RTR-028694, 5-methylsulfonyl pyridine-3-boronic acid, (5-methylsulfonyl-3-pyridyl)boronic acid, 5-methanesulfonylpyridin-3-ylboronic acid, AK-47145, BC001501, SC-86446, SY026607, (5-methylsulfonyl-3-pyridinyl)boronic acid, (5-methylsulfonylpyridin-3-yl)boronic acid, 5-(methylsulfonyl)-3-pyridinylboronic acid, 5-(methylsulfonyl)pyridin-3-ylboronic acid, AX8101330, DB-079003, ST2411676, TR-028694, FT-0687758, Z1085, MFCD08689536 (95%), [5-(Methanesulfonyl)pyridin-3-yl]boronic acid, B-4861, [5-(METHYLSULFONYL)-3-PYRIDINYL]BORONIC ACID, 5-(methylsulphonyl)pyridine-3-boronic acid, AldrichCPR, C6H8BNO4S,

Complexity	260
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	201.027g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	201.003g/mol
Monoisotopic Mass	201.027g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	95.9A^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-P280a-P304+P340-P305+P351+P338-P405-P501a
UN Code

Certificate of Analysis

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