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  • [Synonyms]
    1,4-Dichlorobicyclo[2.2.2]octane
    Bicyclo[2.2.2]octane, 1,4-dichloro-
    NSC135012
    1123-39-3

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight179.08688 [g/mol]
    Molecular FormulaC8H12Cl2
    XLogP3.2
    H-Bond Donor0
    H-Bond Acceptor0
    Rotatable Bond Count0
    Exact Mass178.031606
    MonoIsotopic Mass178.031606
    Topological Polar Surface Area0
    Heavy Atom Count10
    Formal Charge0
    Complexity111
    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: 1,4-dichlorobicyclo[2.2.2]octane
    Canonical SMILES: C1CC2(CCC1(CC2)Cl)Cl
    InChI: InChI=1/C8H12Cl2/c9-7-1-2-8(10,5-3-7)6-4-7/h1-6H2



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