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    CAS 160969-03-9

    BUILDING BLOCK

    MARKET PLACE

    PharmaCompass
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    2D Structure
    Also known as: 160969-03-9, 2-(2-(2,2,2-trifluoroethoxy)phenoxy)ethyl methanesulfonate, 2-[2-trifluoroethoxyphenoxy]ethyl methanesulfonate, 2-(2-(2,2,2-trifluoroethoxy)phenoxy)ethylmethanesulfonate, 2-(2-(2,2,2-trifluoroethoxy)phenoxy)ethyl (methanesulfonate), Ethanol, 2-[2-(2,2,2-trifluoroethoxy)phenoxy]-, 1-methanesulfonate
    Molecular Formula
    C11H13F3O5S
    Molecular Weight
    314.28  g/mol
    InChI Key
    HOJMCBMXHWZNKX-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl methanesulfonate
    2.1.2 InChI
    InChI=1S/C11H13F3O5S/c1-20(15,16)19-7-6-17-9-4-2-3-5-10(9)18-8-11(12,13)14/h2-5H,6-8H2,1H3
    2.1.3 InChI Key
    HOJMCBMXHWZNKX-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CS(=O)(=O)OCCOC1=CC=CC=C1OCC(F)(F)F
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 160969-03-9

    2. 2-(2-(2,2,2-trifluoroethoxy)phenoxy)ethyl Methanesulfonate

    3. 2-[2-trifluoroethoxyphenoxy]ethyl Methanesulfonate

    4. 2-(2-(2,2,2-trifluoroethoxy)phenoxy)ethylmethanesulfonate

    5. 2-(2-(2,2,2-trifluoroethoxy)phenoxy)ethyl (methanesulfonate)

    6. Ethanol, 2-[2-(2,2,2-trifluoroethoxy)phenoxy]-, 1-methanesulfonate

    7. Methanesulfonic Acid 2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl Ester

    8. Ak-87340

    9. Schembl523880

    10. Dtxsid60441213

    11. Bcp12487

    12. Cs-m1431

    13. Mfcd16038209

    14. Zinc38983150

    15. Akos015890261

    16. Ac-23949

    17. As-18730

    18. Trifluoroethoxyphenoxy]ethyl Methanesulfonate

    19. Am20090781

    20. Ft-0658216

    21. T3505

    22. F16044

    23. 969t039

    24. A810209

    25. Benzoic Acid,3-amino-5-fluoro-4-methyl-,ethyl Ester

    26. 2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl Methansulfonate

    27. 2-2-(2,2,2-trifluoroethoxy)phenoxyethyl Methanesulfonate

    28. 2-(2-(2,2,2-trifluoroethoxy)phenoxy)-ethyl Methanesulfonate

    2.3 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 314.28 g/mol
    Molecular Formula C11H13F3O5S
    XLogP32
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count7
    Exact Mass314.04357917 g/mol
    Monoisotopic Mass314.04357917 g/mol
    Topological Polar Surface Area70.2 Ų
    Heavy Atom Count20
    Formal Charge0
    Complexity377
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1