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  • 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

    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
    1
    Exact Mass
    463.150385g/mol
    Formal Charge
    0
    Heavy Atom Count
    31
    Monoisotopic Mass
    463.150385g/mol
    Rotatable Bond Count
    4
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