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  • 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane,Canonical SMILES: CCC(C
  • 发布时间:2004-10-25 来源:本站整理
  • [Synonyms]

    [Structure]
     1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane,Canonical SMILES: CCC(C

    [ Properties Computed from Structure]
    Molecular Weight348.104542 [g/mol]
    Molecular FormulaC8H5F13
    XLogP5.7
    H-Bond Donor0
    H-Bond Acceptor13
    Rotatable Bond Count5
    Exact Mass348.018367
    MonoIsotopic Mass348.018367
    Topological Polar Surface Area0
    Heavy Atom Count21
    Formal Charge0
    Complexity376
    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: 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane
    Canonical SMILES: CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
    InChI: InChI=1/C8H5F13/c1-2-3(9,10)4(11,12)5(13,14)6(15,16)7(17,18)8(19,
    20)21/h2H2,1H3

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