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    Also known as: 5292-43-3, Tert-butyl 2-bromoacetate, T-butyl bromoacetate, Acetic acid, bromo-, 1,1-dimethylethyl ester, Bromoacetic acid tert-butyl ester, Tert-butylbromoacetate
    Molecular Formula
    C6H11BrO2
    Molecular Weight
    195.05  g/mol
    InChI Key
    BNWCETAHAJSBFG-UHFFFAOYSA-N
    FDA UNII
    LY42AF89SN
    CAS 5292-43-3
    1 2D Structure

    CAS 5292-43-3

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    tert-butyl 2-bromoacetate
    2.1.2 InChI
    InChI=1S/C6H11BrO2/c1-6(2,3)9-5(8)4-7/h4H2,1-3H3
    2.1.3 InChI Key
    BNWCETAHAJSBFG-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)(C)OC(=O)CBr
    2.2 Other Identifiers
    2.2.1 UNII
    LY42AF89SN
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 5292-43-3

    2. Tert-butyl 2-bromoacetate

    3. T-butyl Bromoacetate

    4. Acetic Acid, Bromo-, 1,1-dimethylethyl Ester

    5. Bromoacetic Acid Tert-butyl Ester

    6. Tert-butylbromoacetate

    7. Bromo-acetic Acid Tert-butyl Ester

    8. Mfcd00000188

    9. Acetic Acid, Bromo-, Tert-butyl Ester

    10. Ly42af89sn

    11. Brch2c(o)oc(ch3)3

    12. 1,1-dimethylethyl 2-bromoacetate

    13. 1,1-dimethylethyl Monobromoacetate

    14. Acetic Acid, 2-bromo-, 1,1-dimethylethyl Ester

    15. 2-bromoacetic Acid Tert-butyl Ester

    16. Bromoacetic Acid 1,1-dimethylethyl Ester

    17. T-butylbromoaceate

    18. T-butylbromoacteate

    19. T-butylbromoacetate

    20. Einecs 226-133-6

    21. T-butyl-bromoacetate

    22. Nsc 82470

    23. Tert Butylbromoacetate

    24. Tertbutyl Bromoacetate

    25. Tert-butyl Bromacetate

    26. Tert Butyl Bromoacetate

    27. Tert-butyl-bromoacetate

    28. Tert.-butylbromoacetate

    29. Tert.butyl Bromoacetate

    30. Tert. Butylbromoacetate

    31. Brch2co2-t-bu

    32. T-butyl 2-bromoacetate

    33. T-butyl-2-bromoacetate

    34. Tert-butyl-bromo-acetate

    35. Tert-butyl2-bromoacetate

    36. Tert.-butyl Bromoacetate

    37. Dimethylethyl Bromoacetate

    38. Tertiarybutyl Bromoacetate

    39. T-buty Alpha-bromoacetate

    40. Bromoacetate T-butyl Ester

    41. T-butyl Alpha-bromoacetate

    42. Tert-butyl-2-bromoacetate

    43. Tertiary Butyl Bromoacetate

    44. T-butyl Bromoactate

    45. Unii-ly42af89sn

    46. Tert-butyl

    47. A-bromoacetate

    48. Tert-butyl 2-bromo-acetate

    49. Nciopen2_001241

    50. Schembl38493

    51. Tert-butyl Alpha-bromoacetate

    52. 2-bromoacetate T-butyl Ester

    53. Bromoacetic Acid T-butyl Ester

    54. Tert-butyl 2-bromanylethanoate

    55. 1,1-dimethylethyl Bromoacetate

    56. Tert-butyl Bromoacetate, 98%

    57. Bromoacetic Acid Tert-butylester

    58. Dtxsid2063763

    59. Bnwcetahajsbfg-uhfffaoysa-

    60. Bromoacetic Acid-tert-butyl Ester

    61. 2-bromoacetic Acid-t Butyl Ester

    62. Bromoacetic Acid Tert.-butyl Ester

    63. Zinc164817

    64. Amy28710

    65. Bcp24432

    66. Bromo-acetic Acid Tert.-butyl Ester

    67. Cs-d1664

    68. Nsc82470

    69. Str02323

    70. Ab6559

    71. Nsc-82470

    72. 2-bromoacetic Acid Tert.-butyl Ester

    73. Akos009159099

    74. Tert-butyl .alpha.-bromoacetate

    75. Bp-20407

    76. Bromo-acetic Acid 1,1-dimethylethyl Ester

    77. 2-bromoacetic Acid 1,1-dimethylethyl Ester

    78. Ft-0623217

    79. En300-61309

    80. Tert-butyl Bromoacetate, Purum, >=97.0% (gc)

    81. A829312

    82. Q-201798

    83. F0001-1365

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 195.05 g/mol
    Molecular Formula C6H11BrO2
    XLogP31.9
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count3
    Exact Mass193.99424 g/mol
    Monoisotopic Mass193.99424 g/mol
    Topological Polar Surface Area26.3 Ų
    Heavy Atom Count9
    Formal Charge0
    Complexity104
    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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