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    CAS 667-27-6

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    CAS 667-27-6
    Also known as: 667-27-6, Ethyl 2-bromo-2,2-difluoroacetate, Ethylbromodifluoroacetate, Bromodifluoroacetic acid ethyl ester, Acetic acid, bromodifluoro-, ethyl ester, Ethyl difluorobromoacetate
    Molecular Formula
    C4H5BrF2O2
    Molecular Weight
    202.98  g/mol
    InChI Key
    IRSJDVYTJUCXRV-UHFFFAOYSA-N
    FDA UNII
    2QFZ6JJ5YH
    1 2D Structure

    CAS 667-27-6

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    ethyl 2-bromo-2,2-difluoroacetate
    2.1.2 InChI
    InChI=1S/C4H5BrF2O2/c1-2-9-3(8)4(5,6)7/h2H2,1H3
    2.1.3 InChI Key
    IRSJDVYTJUCXRV-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCOC(=O)C(F)(F)Br
    2.2 Other Identifiers
    2.2.1 UNII
    2QFZ6JJ5YH
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 667-27-6

    2. Ethyl 2-bromo-2,2-difluoroacetate

    3. Ethylbromodifluoroacetate

    4. Bromodifluoroacetic Acid Ethyl Ester

    5. Acetic Acid, Bromodifluoro-, Ethyl Ester

    6. Ethyl Difluorobromoacetate

    7. 2qfz6jj5yh

    8. Ethyl Bromo(difluoro)acetate

    9. 2-bromo-2,2-difluoroacetic Acid Ethyl Ester

    10. Einecs 211-567-0

    11. Ethyl 2-bromo-2,2-difluoro-acetate

    12. Mfcd00042069

    13. Cbrf2cooch2ch3

    14. Unii-2qfz6jj5yh

    15. Ethyl 2-bromodifluoroacetate

    16. Ethyl Bromo Difluoro Acetate

    17. Schembl162440

    18. Ethyl Bromodifluoroacetate, 98%

    19. Irsjdvytjucxrv-uhfffaoysa-

    20. Amy3632

    21. Dtxsid40216845

    22. Ethyl 2,2-difluoro-2-bromoacetate

    23. Act02752

    24. Bcp11101

    25. Cs-d1417

    26. Zinc1845846

    27. Bromodifluoro Acetic Acid Ethyl Ester

    28. Bromodifluoro-acetic Acid Ethyl Ester

    29. Akos005258594

    30. Bromo-difluoro-acetic Acid Ethyl Ester

    31. Ethyl Bromo-alpha,alpha-difluoroacetate

    32. Fs-4453

    33. Bp-10583

    34. 2-bromo2,2-difluoroacetic Acid Ethyl Ester

    35. Db-029758

    36. Aceticacid,2-bromo-2,2-difluoro-,ethylester

    37. Ft-0623240

    38. Acetic Acid, 2-bromo-2,2-difluoro-, Ethyl Ester

    39. Q-102548

    40. F0001-2628

    2.4 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 202.98 g/mol
    Molecular Formula C4H5BrF2O2
    XLogP31.6
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count3
    Exact Mass201.94410 g/mol
    Monoisotopic Mass201.94410 g/mol
    Topological Polar Surface Area26.3 Ų
    Heavy Atom Count9
    Formal Charge0
    Complexity115
    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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