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    CAS 1070-64-0

    BUILDING BLOCK

    MARKET PLACE

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 1070-64-0, 6,8-dichlorooctanoic acid ethyl ester, Ethyl 6,8-dichlorocaprylate, Octanoic acid, 6,8-dichloro-, ethyl ester, 6,8-dichloro ethyl caprylate, Ethyl 6,8-dichloro caprylate
    Molecular Formula
    C10H18Cl2O2
    Molecular Weight
    241.15  g/mol
    InChI Key
    RFYDWSNYTVVKBR-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    ethyl 6,8-dichlorooctanoate
    2.1.2 InChI
    InChI=1S/C10H18Cl2O2/c1-2-14-10(13)6-4-3-5-9(12)7-8-11/h9H,2-8H2,1H3
    2.1.3 InChI Key
    RFYDWSNYTVVKBR-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCOC(=O)CCCCC(CCCl)Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1070-64-0

    2. 6,8-dichlorooctanoic Acid Ethyl Ester

    3. Ethyl 6,8-dichlorocaprylate

    4. Octanoic Acid, 6,8-dichloro-, Ethyl Ester

    5. 6,8-dichloro Ethyl Caprylate

    6. Ethyl 6,8-dichloro Caprylate

    7. Brn 1771820

    8. Ethyl6,8-dichlorooctanoate

    9. Ec 435-080-1

    10. Ethyl-6,8-dichlorooctanoate

    11. 6,8-dichloroethyl Caprylate

    12. 4-02-00-00998 (beilstein Handbook Reference)

    13. Schembl5480353

    14. Dtxsid30910209

    15. Amy22512

    16. Ethyl 6,8-dichlorooctanoate, 95%

    17. Mfcd01711127

    18. Akos015848527

    19. Cs-w006088

    20. Ds-1036

    21. Db-040725

    22. Ft-0602570

    23. O11809

    24. J-001695

    2.3 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 241.15 g/mol
    Molecular Formula C10H18Cl2O2
    XLogP33.1
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count9
    Exact Mass240.0683852 g/mol
    Monoisotopic Mass240.0683852 g/mol
    Topological Polar Surface Area26.3 Ų
    Heavy Atom Count14
    Formal Charge0
    Complexity151
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1