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  • 4,4'-(1H-1,2,4-triazole-3,5-diyl)bis-Benzoic acid

    • 4,4'-(1H-1,2,4-triazole-3,5-diyl)bis-Benzoic acid

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    Catalog Number
    ACM65697907-2
    Product Name
    4,4'-(1H-1,2,4-triazole-3,5-diyl)bis-Benzoic acid
    CAS
    65697-90-7
    Category
    Carboxylic acid MOF ligand-dicarboxylic acid MOF ligand
    Synonyms
    Benzoic acid, 4,4'-(1H-1,2,4-triazole-3,5-diyl)bis-; H2bcpt; H2TADIBA
    IUPAC Name
    4-[3-(4-carboxyphenyl)-1H-1,2,4-triazol-5-yl]benzoic acid
    Molecular Weight
    309.28
    Molecular Formula
    C16H11N3O4
    InChI
    InChI=1S/C16H11N3O4/c20-15(21)11-5-1-9(2-6-11)13-17-14(19-18-13)10-3-7-12(8-4-10)16(22)23/h1-8H,(H,20,21)(H,22,23)(H,17,18,19)
    InChI Key
    SXSLRMSHMPMPHK-UHFFFAOYSA-N
    Purity
    97%
    Appearance
    White powder
    Complexity
    443
    Compound Is Canonicalized
    Yes
    Covalently-Bonded Unit Count
    1
    Defined Atom Stereocenter Count
    0
    Defined Bond Stereocenter Count
    0
    Exact Mass
    309.07495584g/mol
    Formal Charge
    0
    Heavy Atom Count
    23
    Hydrogen Bond Acceptor Count
    6
    Hydrogen Bond Donor Count
    3
    Isotope Atom Count
    0
    Monoisotopic Mass
    309.07495584g/mol
    Rotatable Bond Count
    4
    Topological Polar Surface Area
    116Ų
    Undefined Atom Stereocenter Count
    0
    Undefined Bond Stereocenter Count
    0
    XLogP3
    2.4
    MSDS
    Download MSDS
    COA
    Download COA
    Spec Sheet
    Download Spec Sheet
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