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  • [Synonyms]
    AIDS224054
    AIDS-224054
    BRN 0552703
    LS-33172
    4,5,6,7-Tetrabromo-2-(trifluoromethyl)benzimidazole
    5-23-06-00363 (Beilstein Handbook Reference)
    Benzimidazole, 4,5,6,7-tetrabromo-2-(trifluoromethyl)-
    1H-Benzimidazole, 4,5,6,7-tetrabromo-2-(trifluoromethyl)-
    2338-30-9

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight501.71815 [g/mol]
    Molecular FormulaC8HBr4F3N2
    XLogP5.4
    H-Bond Donor1
    H-Bond Acceptor5
    Rotatable Bond Count0
    Exact Mass501.67844
    MonoIsotopic Mass497.682533
    Topological Polar Surface Area28.7
    Heavy Atom Count17
    Formal Charge0
    Complexity303
    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: 4,5,6,7-tetrabromo-2-(trifluoromethyl)-1H-benzimidazole
    Canonical SMILES: C12=C(C(=C(C(=C1Br)Br)Br)Br)N=C(N2)C(F)(F)F
    InChI: InChI=1/C8HBr4F3N2/c9-1-2(10)4(12)6-5(3(1)11)16-7(17-6)8(13,14)15/h(H,
    16,17)/f/h16H



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