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  • Benzothiophene-2-boronic acid MIDA ester

  • Benzothiophene-2-boronic acid MIDA ester

    Catalog Number
    ACMA00015364
    Product Name
    Benzothiophene-2-boronic acid MIDA ester
    Category
    Salt
    IUPAC Name
    1-(1-benzothiophen-2-yl)-5-methyl-2,8-dioxa-5-azonia-1-boranuidabicyclo[3.3.0]octane-3,7-dione
    Molecular Weight
    289.1g/mol
    Molecular Formula
    C13H12BNO4S
    Canonical SMILES
    [B-]12([N+](CC(=O)O1)(CC(=O)O2)C)C3=CC4=CC=CC=C4S3
    InChI
    InChI=1S/C13H12BNO4S/c1-15-7-12(16)18-14(15,19-13(17)8-15)11-6-9-4-2-3-5-10(9)20-11/h2-6H,7-8H2,1H3
    InChI Key
    DNFFKQOMJQDDOB-UHFFFAOYSA-N
    Complexity
    465
    Covalently-Bonded Unit Count
    1
    Exact Mass
    289.058009g/mol
    Formal Charge
    0
    Heavy Atom Count
    20
    Monoisotopic Mass
    289.058009g/mol
    Rotatable Bond Count
    1
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