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  • 4,4'-(4-Amino-4H-1,2,4-triazole-3,5-diyl)dibenzoic acid

    • 4,4'-(4-Amino-4H-1,2,4-triazole-3,5-diyl)dibenzoic acid

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    Catalog Number
    ACM1815596327-1
    Product Name
    4,4'-(4-Amino-4H-1,2,4-triazole-3,5-diyl)dibenzoic acid
    CAS
    1815596-32-7
    Category
    Carboxylic acid MOF ligand-dicarboxylic acid MOF ligand
    Synonyms
    H2atdbc
    IUPAC Name
    4-[4-amino-5-(4-carboxyphenyl)-1,2,4-triazol-3-yl]benzoic acid
    Molecular Weight
    324.29
    Molecular Formula
    C16H12N4O4
    InChI
    InChI=1S/C16H12N4O4/c17-20-13(9-1-5-11(6-2-9)15(21)22)18-19-14(20)10-3-7-12(8-4-10)16(23)24/h1-8H,17H2,(H,21,22)(H,23,24)
    InChI Key
    YEGGBYRIRLOQOP-UHFFFAOYSA-N
    Purity
    98%
    Appearance
    White powder
    Complexity
    431
    Compound Is Canonicalized
    Yes
    Covalently-Bonded Unit Count
    1
    Defined Atom Stereocenter Count
    0
    Defined Bond Stereocenter Count
    0
    Exact Mass
    324.08585488g/mol
    Formal Charge
    0
    Heavy Atom Count
    24
    Hydrogen Bond Acceptor Count
    7
    Hydrogen Bond Donor Count
    3
    Isotope Atom Count
    0
    Monoisotopic Mass
    324.08585488g/mol
    Rotatable Bond Count
    4
    Topological Polar Surface Area
    131Ų
    Undefined Atom Stereocenter Count
    0
    Undefined Bond Stereocenter Count
    0
    XLogP3
    1.6
    MSDS
    Download MSDS
    COA
    Download COA
    Spec Sheet
    Download Spec Sheet
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