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  • [Synonyms]
    NSC351384
    90017-04-2

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight284.70046 [g/mol]
    Molecular FormulaC14H9ClN4O
    XLogP3
    H-Bond Donor1
    H-Bond Acceptor4
    Rotatable Bond Count3
    Tautomer Count2
    Exact Mass284.046489
    MonoIsotopic Mass284.046489
    Topological Polar Surface Area78.1
    Heavy Atom Count20
    Formal Charge0
    Complexity414
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count0
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count1
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: 4-chloro-N-(pyridine-4-carbonylamino)benzenecarboximidoyl cyanide
    Canonical SMILES: C1=CC(=CC=C1C(=NNC(=O)C2=CC=NC=C2)C#N)Cl
    InChI: InChI=1/C14H9ClN4O/c15-12-3-1-10(2-4-12)13(9-16)18-19-14(20)11-5-7-17-8-
    6-11/h1-8H,(H,19,20)/f/h19H



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