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  • 1-(p-Toluenesulfonyl)pyrrole-2-boronic acid MIDA ester

  • 1-(p-Toluenesulfonyl)pyrrole-2-boronic acid MIDA ester

    Catalog Number
    ACM1311484500
    CAS Number
    1311484-50-0
    Product Name
    1-(p-Toluenesulfonyl)pyrrole-2-boronic acid MIDA ester
    Category
    Salt
    IUPAC Name
    6-methyl-2-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]-1,3,6,2-dioxazaborocane-4,8-dione
    Molecular Weight
    376.2g/mol
    Molecular Formula
    C16H17BN2O6S
    Canonical SMILES
    B1(OC(=O)CN(CC(=O)O1)C)C2=CC=CN2S(=O)(=O)C3=CC=C(C=C3)C
    InChI
    InChI=1S/C16H17BN2O6S/c1-12-5-7-13(8-6-12)26(22,23)19-9-3-4-14(19)17-24-15(20)10-18(2)11-16(21)25-17/h3-9H,10-11H2,1-2H3
    InChI Key
    HLSJWIMKWDEIJR-UHFFFAOYSA-N
    Complexity
    624
    Covalently-Bonded Unit Count
    1
    Exact Mass
    376.090038g/mol
    Formal Charge
    0
    Heavy Atom Count
    26
    Monoisotopic Mass
    376.090038g/mol
    Rotatable Bond Count
    3
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