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  • [Synonyms]
    Phosphonic diamide, P-(dichloromethyl)-N,N'-dipropyl-
    85437-63-4

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight247.102441 [g/mol]
    Molecular FormulaC7H17Cl2N2OP
    XLogP1.7
    H-Bond Donor2
    H-Bond Acceptor3
    Rotatable Bond Count7
    Tautomer Count2
    Exact Mass246.045555
    MonoIsotopic Mass246.045555
    Topological Polar Surface Area41.1
    Heavy Atom Count13
    Formal Charge0
    Complexity166
    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: N-(dichloromethyl-propylaminophosphoryl)propan-1-amine
    Canonical SMILES: CCCNP(=O)(C(Cl)Cl)NCCC
    InChI: InChI=1/C7H17Cl2N2OP/c1-3-5-10-13(12,7(8)9)11-6-4-2/h7H,3-6H2,1-2H3,(H2,
    10,11,12)/f/h10-11H



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