2-[4-(4-chlorophenylsulfonyl)piperazin-1-yl]pyridine-5-boronic acid, pinacol ester

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2-[4-(4-chlorophenylsulfonyl)piperazin-1-yl]pyridine-5-boronic acid, pinacol ester

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Catalog Number

ACMA00014847

Product Name

2-[4-(4-chlorophenylsulfonyl)piperazin-1-yl]pyridine-5-boronic acid, pinacol ester

Category

Salt

IUPAC Name

1-(4-chlorophenyl)sulfonyl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperazine

Molecular Weight

463.8g/mol

Molecular Formula

C21H27BClN3O4S

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl

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

Complexity

715

Covalently-Bonded Unit Count

Exact Mass

463.150385g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

463.150385g/mol

Rotatable Bond Count

MSDS

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COA

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Spec Sheet

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