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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

CAS 23877-12-5
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

BUILDING BLOCK

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