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  • [Synonyms]
    2,4-Dcbt
    2,4-Dichlorobenzyl thiocyanate
    NSC145813
    Thiocyanic acid, 2,4-dichlorobenzyl ester
    NSC 145813
    Thiocyanic acid, (2,4-dichlorophenyl)methyl ester
    7534-61-4

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight218.103 [g/mol]
    Molecular FormulaC8H5Cl2NS
    XLogP3.2
    H-Bond Donor0
    H-Bond Acceptor1
    Rotatable Bond Count2
    Exact Mass216.951975
    MonoIsotopic Mass216.951975
    Topological Polar Surface Area23.8
    Heavy Atom Count12
    Formal Charge0
    Complexity189
    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: 2,4-dichloro-1-(thiocyanatomethyl)benzene
    Canonical SMILES: C1=CC(=C(C=C1Cl)Cl)CSC#N
    InChI: InChI=1/C8H5Cl2NS/c9-7-2-1-6(4-12-5-11)8(10)3-7/h1-3H,4H2



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