AG007ENI

1073354-20-7 | 1-((4-Chlorophenyl)Sulfonyl)-4-(5-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Pyridin-2-Yl)Piperazine

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CAS Number	1073354-20-7
Catalog Number	AG007ENI(AGN-PC-01NOTK)
Chemical Name	1-((4-Chlorophenyl)Sulfonyl)-4-(5-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Pyridin-2-Yl)Piperazine
IUPAC Name	1-(4-chlorophenyl)sulfonyl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperazine
InChI	InChI=1S/C21H27BClN3O4S/c1-20(2)21(3,4)30-22(29-20)16-5-10-19(24-15-16)25-11-13-26(14-12-25)31(27,28)18-8-6-17(23)7-9-18/h5-10,15H,11-14H2,1-4H3
InChI Key	ZTLVDQRYPZNBJK-UHFFFAOYSA-N
MDL Number	MFCD06797988
Molecular Formula	C21H27BClN3O4S
Molecular Weight	463.7858
SMILES	CC1(C)OB(OC1(C)C)C1=CN=C(C=C1)N1CCN(CC1)S(=O)(=O)C1=CC=C(Cl)C=C1
Synonyms	1073354-20-7, 1-((4-Chlorophenyl)sulfonyl)-4-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)piperazine, 2-[4-(4-CHLOROPHENYLSULFONYL)PIPERAZIN-1-YL]PYRIDINE-5-BORONIC ACID, PINACOL ESTER, 2-[4-(4-Chlorophenylsulfonyl)piperazin-1-yl]pyridine-5-boronic acid pinacol ester, 1-(4-chlorophenylsulfonyl)-4-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)piperazine, 2-[4-(4-Chlorophenylsulfonyl)piperazin-1-yl]pyridine-5-boronic acid, pinacol ester, AldrichCPR, C21H27BClN3O4S, CTK8E8286, DTXSID20592134, ZXBA000275, 1545AA, MFCD06797988, AKOS015950132, ZINC169794293, AK119491, AS-48805, AX8244907, RT-016688, J-001824, 1-((4-Chlorophenyl)sulfonyl)-4-(5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)pyridin-2-yl)piperazine, 1-((4-chlorophenyl)sulfonyl)-4-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)piper, 1-(4-Chlorobenzene-1-sulfonyl)-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperazine, 1-(4-chlorophenyl)sulfonyl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine, 1-(4-chlorophenyl)sulfonyl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridyl]piperazine, 1-(4-chlorophenyl)sulfonyl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperazine, Azine,

Complexity	715
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	463.15g/mol
Formal Charge	0
Heavy Atom Count	31
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	463.784g/mol
Monoisotopic Mass	463.15g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	80.4A^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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