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2D Structure
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

1 2D Structure

2D Structure

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