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  • 2-nitrobenzeneboronic acid pinacol ester

  • 2-nitrobenzeneboronic acid pinacol ester

    Catalog Number
    ACMA00014995
    Product Name
    2-nitrobenzeneboronic acid pinacol ester
    Category
    Salt
    IUPAC Name
    4,4,5,5-tetramethyl-2-(2-nitrophenyl)-1,3,2-dioxaborolane
    Molecular Weight
    249.07g/mol
    Molecular Formula
    C12H16BNO4
    Canonical SMILES
    B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2[N+](=O)[O-]
    InChI
    InChI=1S/C12H16BNO4/c1-11(2)12(3,4)18-13(17-11)9-7-5-6-8-10(9)14(15)16/h5-8H,1-4H3
    InChI Key
    VLJYUDGCEKORNG-UHFFFAOYSA-N
    Complexity
    324
    Covalently-Bonded Unit Count
    1
    Exact Mass
    249.117238g/mol
    Formal Charge
    0
    Heavy Atom Count
    18
    Monoisotopic Mass
    249.117238g/mol
    Rotatable Bond Count
    1
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