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  • 2-(1H-1,2,4-Triazol-1-yl)benzoic acid

    • 2-(1H-1,2,4-Triazol-1-yl)benzoic acid

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    Catalog Number
    ACM138479546-2
    Product Name
    2-(1H-1,2,4-Triazol-1-yl)benzoic acid
    Structure
    CAS
    138479-54-6
    Category
    Carboxylic acid nitrogen-containing mixed MOF ligand-binary mixed ligand
    Synonyms
    2-(1H-1,2,4-Triazol-1-yl)benzenecarboxylic acid
    IUPAC Name
    2-(1,2,4-triazol-1-yl)benzoic acid
    Molecular Weight
    189.17
    Molecular Formula
    C9H7N3O2
    Canonical SMILES
    C1=CC=C(C(=C1)C(=O)O)N2C=NC=N2
    InChI
    InChI=1S/C9H7N3O2/c13-9(14)7-3-1-2-4-8(7)12-6-10-5-11-12/h1-6H,(H,13,14)
    InChI Key
    INJKHFHZWYNONQ-UHFFFAOYSA-N
    Boiling Point
    429.5 ºC at 760 mmHg
    Flash Point
    213.6 ºC
    Purity
    98%
    Density
    1.39g/cm³
    Complexity
    222
    Compound Is Canonicalized
    Yes
    Covalently-Bonded Unit Count
    1
    Defined Atom Stereocenter Count
    0
    Defined Bond Stereocenter Count
    0
    Exact Mass
    189.053826475g/mol
    Formal Charge
    0
    Heavy Atom Count
    14
    Hydrogen Bond Acceptor Count
    4
    Hydrogen Bond Donor Count
    1
    Isotope Atom Count
    0
    Length
    0.5-2 um
    Monoisotopic Mass
    189.053826475g/mol
    Rotatable Bond Count
    2
    SSA
    >30 m2/g
    Topological Polar Surface Area
    68Ų
    Undefined Atom Stereocenter Count
    0
    Undefined Bond Stereocenter Count
    0
    XLogP3
    1.2
    MSDS
    Download MSDS
    COA
    Download COA
    Spec Sheet
    Download Spec Sheet
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