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  • [Synonyms]
    2-Chloroethyl butanoate
    Ethyl 2-chlorobutyrate
    Ethyl 2-chlorobutanoate
    Butanoic acid, 2-chloroethyl ester
    Butanoic acid, 2-chloro-, ethyl ester
    7425-45-8

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight150.60334 [g/mol]
    Molecular FormulaC6H11ClO2
    XLogP1.6
    H-Bond Donor0
    H-Bond Acceptor2
    Rotatable Bond Count4
    Exact Mass150.044757
    MonoIsotopic Mass150.044757
    Topological Polar Surface Area26.3
    Heavy Atom Count9
    Formal Charge0
    Complexity93.1
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count1
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: ethyl 2-chlorobutanoate
    Canonical SMILES: CCC(C(=O)OCC)Cl
    InChI: InChI=1/C6H11ClO2/c1-3-5(7)6(8)9-4-2/h5H,3-4H2,1-2H3



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