AG0094ZP

1206641-26-0 | 5-(Methylsulfonyl)pyridine-3-boronic acid pinacol ester

AG0094ZP

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CAS Number	1206641-26-0
Catalog Number	AG0094ZP(AGN-PC-09SIG0)
Chemical Name	5-(Methylsulfonyl)pyridine-3-boronic acid pinacol ester
IUPAC Name	3-methylsulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
InChI	InChI=1S/C12H18BNO4S/c1-11(2)12(3,4)18-13(17-11)9-6-10(8-14-7-9)19(5,15)16/h6-8H,1-5H3
InChI Key	BFWBUXKEBXAKDE-UHFFFAOYSA-N
MDL Number	MFCD12198145
Molecular Formula	C12H18BNO4S
Molecular Weight	283.1516
SMILES	CC1(C)C(C)(C)OB(C2=CN=CC(S(=O)(C)=O)=C2)O1
Synonyms	1206641-26-0, 3-(methylsulfonyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine, 5-(Methylsulfonyl)pyridine-3-boronic acid pinacol ester, 5-(Methylsulfonyl)pyridine-3-boronic acid pinacol ester, 95%, BFWBUXKEBXAKDE-UHFFFAOYSA-N, SCHEMBL3264039, DTXSID80694486, ZXBA000705, MFCD12198145, 3-methylsulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine, AKOS015950249, ZINC169743611, FCH2767980, MB11715, RL00860, AK119457, AS-49790, BC000105, DA-14436, OR361478, AX8244873, CS-0046206, FT-0735363, J-510894, 3-(methylsulfonyl)pyridine-5-boronic acid pinacol ester, 5-(methylsulphonyl)pyridine-3-boronic acid pinacol ester, 3-mesyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine, 5-(Methylsulfonyl)pyridine-3-boronic acid pinacol ester, AldrichCPR, 3-(Methanesulfonyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine, 3-(methylsulfonyl)-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)pyridine, 3-(methylsulfonyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxab oro lan-2-yl)pyridine, 2-Methyl diphenyl sulfide, 5-(methylsulfonyl)pyridine-3-boronic acid, pinacol ester,

Complexity	427
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	283.105g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	283.149g/mol
Monoisotopic Mass	283.105g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	73.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301
Packing Group	Ⅲ
Precautionary statements	P301+P310
UN Code	UN 2811

Certificate of Analysis

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