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    Technical details about CAS 51076-95-0, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 51076-95-0

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    2D Structure
    Also known as: 51076-95-0, Triethyl orthochloroacetate, 2-chloro-1,1,1-triethoxy ethane, Ethane, 2-chloro-1,1,1-triethoxy-, 2-chloro-1,1,1-triethoxy-ethane, Nsc203073
    Molecular Formula
    C8H17ClO3
    Molecular Weight
    196.67  g/mol
    InChI Key
    URFKLQSFBXBOQU-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-chloro-1,1,1-triethoxyethane
    2.1.2 InChI
    InChI=1S/C8H17ClO3/c1-4-10-8(7-9,11-5-2)12-6-3/h4-7H2,1-3H3
    2.1.3 InChI Key
    URFKLQSFBXBOQU-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCOC(CCl)(OCC)OCC
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 51076-95-0

    2. Triethyl Orthochloroacetate

    3. 2-chloro-1,1,1-triethoxy Ethane

    4. Ethane, 2-chloro-1,1,1-triethoxy-

    5. 2-chloro-1,1,1-triethoxy-ethane

    6. Nsc203073

    7. Orthochloroacetic Acid Triethyl Ester

    8. Ec 628-654-8

    9. Triethyl 2-chloroorthoacetate

    10. Schembl485856

    11. Dtxsid50308321

    12. Albb-018211

    13. Zinc1737472

    14. 2-chloro-1, 1,1-triethoxy-ethane

    15. Mfcd00142889

    16. 2-chloranyl-1,1,1-triethoxy-ethane

    17. Akos005070911

    18. Nsc 203073

    19. Nsc-203073

    20. 2-chloro-1,1,1-triethoxyethane, 97%

    21. Amy202100092

    22. Db-127672

    23. C1288

    24. Cs-0204247

    25. Ft-0680531

    26. T70982

    27. 076c950

    28. 6x-0700

    29. A828429

    30. A936618

    31. J-508589

    32. Triethyl 2-chloroorthoacetate, Purum, >=98.0% (gc)

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 196.67 g/mol
    Molecular Formula C8H17ClO3
    XLogP31.6
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count7
    Exact Mass196.0866221 g/mol
    Monoisotopic Mass196.0866221 g/mol
    Topological Polar Surface Area27.7 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity91.5
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1