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    CAS 17913-18-7

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    CAS 17913-18-7
    Also known as: 17913-18-7, 4-chlorobutyl methyl ether, Butane, 1-chloro-4-methoxy-, Ether, 4-chlorobutyl methyl, 1-chloro-4-methoxy-butane, Mfcd00209961
    Molecular Formula
    C5H11ClO
    Molecular Weight
    122.59  g/mol
    InChI Key
    DFLRARJQZRCCKN-UHFFFAOYSA-N
    1 2D Structure

    CAS 17913-18-7

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-chloro-4-methoxybutane
    2.1.2 InChI
    InChI=1S/C5H11ClO/c1-7-5-3-2-4-6/h2-5H2,1H3
    2.1.3 InChI Key
    DFLRARJQZRCCKN-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COCCCCCl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 17913-18-7

    2. 4-chlorobutyl Methyl Ether

    3. Butane, 1-chloro-4-methoxy-

    4. Ether, 4-chlorobutyl Methyl

    5. 1-chloro-4-methoxy-butane

    6. Mfcd00209961

    7. 1-chloro-4-methoxy Butane

    8. Nsc83550

    9. Einecs 241-858-8

    10. Nsc 83550

    11. 4-methoxybutyl Chlo-ride

    12. Schembl56354

    13. 1-chloro-4-(methyloxy)butane

    14. Dtxsid60170773

    15. Bcp14187

    16. Zinc1730997

    17. Nsc-83550

    18. Akos011019877

    19. As-17934

    20. Sy015495

    21. Db-019125

    22. Ft-0657844

    23. En300-77107

    24. A812433

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 122.59 g/mol
    Molecular Formula C5H11ClO
    XLogP31.4
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count4
    Exact Mass122.0498427 g/mol
    Monoisotopic Mass122.0498427 g/mol
    Topological Polar Surface Area9.2 Ų
    Heavy Atom Count7
    Formal Charge0
    Complexity31.3
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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