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  • EINECS 214-629-5,9-Dicyanomethylene-2,4,7-trinitrofluorene,ST5331244,(
  • 发布时间：2004-10-25 来源：本站整理
  • [Synonyms]
    EINECS 214-629-5
    9-Dicyanomethylene-2,4,7-trinitrofluorene
    ST5331244
    (2,4,7-Trinitrofluoren-9-ylidene)malonitrile
    9-(Dicyanomethylene)-2,4,7-trinitrofluorene
    Propanedinitrile, (2,4,7-trinitro-9H-fluoren-9-ylidene)-
    1172-02-7
    53724-78-0
    58160-37-5
    60778-41-8

    [Structure]
    EINECS 214-629-5,9-Dicyanomethylene-2,4,7-trinitrofluorene,ST5331244,(

    [ Properties Computed from Structure]
    Molecular Weight363.2408 [g/mol]
    Molecular FormulaC16H5N5O6
    XLogP3.7
    H-Bond Donor0
    H-Bond Acceptor8
    Rotatable Bond Count0
    Exact Mass363.023983
    MonoIsotopic Mass363.023983
    Topological Polar Surface Area177
    Heavy Atom Count27
    Formal Charge0
    Complexity800
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count0
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: 2-(2,4,7-trinitrofluoren-9-ylidene)propanedinitrile
    Canonical SMILES: C1=CC2=C(C=C1[N+](=O)[O-])C(=C(C#N)C#N)C3=CC(=CC(=C23)[N+](=O)[O-])[N+]
    (=O)[O-]
    InChI: InChI=1/C16H5N5O6/c17-6-8(7-18)15-12-3-9(19(22)23)1-2-11(12)16-13(15)4-
    10(20(24)25)5-14(16)21(26)27/h1-5H

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