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    CAS 23877-12-5

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    CAS 23877-12-5
    Also known as: 23877-12-5, Tert-butyl 2-bromo-2-methylpropanoate, T-butyl 2-bromo isobutyrate, Tert-butyl 2-bromo-2-methylpropionate, Tert-butyl alpha-bromoisobutyrate, T-butyl 2-bromoisobutyrate
    Molecular Formula
    C8H15BrO2
    Molecular Weight
    223.11  g/mol
    InChI Key
    IGVNJALYNQVQIT-UHFFFAOYSA-N
    1 2D Structure

    CAS 23877-12-5

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    tert-butyl 2-bromo-2-methylpropanoate
    2.1.2 InChI
    InChI=1S/C8H15BrO2/c1-7(2,3)11-6(10)8(4,5)9/h1-5H3
    2.1.3 InChI Key
    IGVNJALYNQVQIT-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)(C)OC(=O)C(C)(C)Br
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 23877-12-5

    2. Tert-butyl 2-bromo-2-methylpropanoate

    3. T-butyl 2-bromo Isobutyrate

    4. Tert-butyl 2-bromo-2-methylpropionate

    5. Tert-butyl Alpha-bromoisobutyrate

    6. T-butyl 2-bromoisobutyrate

    7. 2-bromoisobutyric Acid Tert-butylester

    8. Propanoic Acid, 2-bromo-2-methyl-, 1,1-dimethylethyl Ester

    9. 2-bromoisobutyric Acid Tert-butyl Ester

    10. T-butyl 2-bromoisobutylate

    11. Tert-butyl 2-bromoisobutylate

    12. Mfcd00051908

    13. 2-bromo-2-methyl-propionic Acid Tert-butyl Ester

    14. Tert-butyl-2-bromoisobutyrate

    15. Einecs 245-924-7

    16. Tertbutyl Bromoisobutyrate

    17. Tert-butyl Bromisobutyrate

    18. Tert-butyl Bromoisobutyrate

    19. T-butyl-2-bromoisobutyrate

    20. Tert-butyl 2-bromisobutyrate

    21. Tert Butyl-2-bromoisobutyrate

    22. Schembl161854

    23. Tert-butyl-2-bromo-isobutyrate

    24. Tert.-butyl 2-bromoisobutyrate

    25. Dtxsid80178579

    26. Tert-butyl Alpha -bromoisobutyrate

    27. Zinc153250

    28. Bcp24439

    29. T-butyl 2-bromo-2-methylpropionate

    30. T-butyl-2-bromo-2-methylpropanoate

    31. Yaa87712

    32. Tert-butyl2-bromo-2-methylpropanoate

    33. Tert-butyl 2-bromo-2-methylpropanate

    34. Akos015900934

    35. Cs-w001075

    36. Tert-butyl 2-bromo-2,2-dimethylacetate

    37. Tert.-butyl 2-bromo-2-methyl-propionate

    38. As-13184

    39. Sy035581

    40. Alpha-bromoisobutyric Acid Tert-butyl Ester

    41. Db-002894

    42. B3500

    43. Ft-0638365

    44. Tert-butyl Alpha-bromoisobutyrate, >=98.0%

    45. 1,1-dimethylethyl 2-bromo-2-methylpropanoate

    46. Tert-butyl-2-bromo-2-methylpropionate

    47. F20324

    48. 2-bromo-2-methylpropionic Acid Tert-butyl Ester

    49. J-015256

    50. J-524438

    51. 2-bromo-2-methylpropanoic Acid Tert-butyl Ester

    2.3 Create Date
    2005-07-19
    3 Chemical and Physical Properties
    Molecular Weight 223.11 g/mol
    Molecular Formula C8H15BrO2
    XLogP32.5
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count3
    Exact Mass222.02554 g/mol
    Monoisotopic Mass222.02554 g/mol
    Topological Polar Surface Area26.3 Ų
    Heavy Atom Count11
    Formal Charge0
    Complexity156
    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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