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2D Structure
Also known as: 2032-35-1, 2-bromo-1,1-diethoxyethane, Bromoacetal, Ethane, 2-bromo-1,1-diethoxy-, 2,2-diethoxyethyl bromide, 1-bromo-2,2-diethoxyethane
Molecular Formula
C6H13BrO2
Molecular Weight
197.07  g/mol
InChI Key
LILXDMFJXYAKMK-UHFFFAOYSA-N
FDA UNII
M4DGX2BMU9

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-bromo-1,1-diethoxyethane
2.1.2 InChI
InChI=1S/C6H13BrO2/c1-3-8-6(5-7)9-4-2/h6H,3-5H2,1-2H3
2.1.3 InChI Key
LILXDMFJXYAKMK-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCOC(CBr)OCC
2.2 Other Identifiers
2.2.1 UNII
M4DGX2BMU9
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 2032-35-1

2. 2-bromo-1,1-diethoxyethane

3. Bromoacetal

4. Ethane, 2-bromo-1,1-diethoxy-

5. 2,2-diethoxyethyl Bromide

6. 1-bromo-2,2-diethoxyethane

7. 1,1-diethoxy-2-bromoethane

8. Bromacetal

9. Diethyl Bromoacetal

10. 2-bromoacetaldehyde Diethyl Acetal

11. Bromoacetaldehyde Diethylacetal

12. 2-bromo-1,1-diethoxy-ethane

13. Diethyl Bromoacetaldehyde Acetal

14. Acetaldehyde, Bromo-, Diethyl Acetal

15. Badea

16. Nsc 8036

17. M4dgx2bmu9

18. Bromo Acetaldehyde Diethyl Acetal

19. Nsc-8036

20. Bromacetaldehyde Diethyl Acetal

21. .alpha.-bromoacetaldehyde Diethyl Acetal

22. Mfcd00000214

23. Bromo Acetal

24. Einecs 217-989-1

25. Brch2ch(oet)2

26. Ai3-28195

27. 2,2-diethoxyethylbromide

28. Unii-m4dgx2bmu9

29. 2-bromo-l,1-diethoxyethane

30. 2,2-diethoxy-1-bromoethane

31. Bromacetaldehyde-diethylacetal

32. Bromoactaldehyde Diethylacetal

33. Bromoacetaldehyde-diethylacetal

34. Schembl103234

35. 2-bromo- 1,1-diethoxyethane

36. Bromoacetoaldehyde Diethylacetal

37. 2-bromo-1,1-diethoxy Ethane

38. Bromo-acetaldehyde-diethylacetal

39. Bromoacetaldehyde Diethyl-acetal

40. Bromoacetaldehyde-diethyl Acetal

41. Bromoacetaldehyde-diethyl-acetal

42. Bromoacetoaldehyde Diethyl Acetal

43. (2-bromo-1-ethoxyethoxy)ethane

44. 2-bromoacetaldehyde Diethylacetal

45. Bromo-acetaldehyde Diethyl Acetal

46. Bromo-acetaldehyde Diethyl-acetal

47. Chembl2251333

48. Dtxsid2062111

49. Brom Oacetaldehyde Diethyl Acetaal

50. Nsc8036

51. 2-bromo-1,1-bis(ethyloxy)ethane

52. Zinc164403

53. Amy12208

54. Str00945

55. Bbl011518

56. Stl146634

57. Akos000119981

58. Bromoacetaldehyde Diethyl Acetal, 97%

59. Ac-2030

60. Pb25876

61. Bromoacetal 2-bromo-1,1-diethoxyethane

62. Bp-30201

63. Db-029545

64. B0957

65. A814437

66. J-508165

67. Q15726047

68. F0001-0717

69. 2-bromo-1,1-diethoxyethane(bromoacetaldehydediethylacetal)

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 197.07 g/mol
Molecular Formula C6H13BrO2
XLogP31.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass196.00989 g/mol
Monoisotopic Mass196.00989 g/mol
Topological Polar Surface Area18.5 Ų
Heavy Atom Count9
Formal Charge0
Complexity53
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1