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Also known as: 2969-81-5, Butanoic acid, 4-bromo-, ethyl ester, Einecs 221-005-6, Nsc 133462, Ai3-36601, Dtxsid80183845
Molecular Formula
C6H11BrO2
Molecular Weight
195.05  g/mol
InChI Key
XBPOBCXHALHJFP-UHFFFAOYSA-N
FDA UNII
EZ8TY5JSD5

CAS 2969-81-5
1 2D Structure

CAS 2969-81-5

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
ethyl 4-bromobutanoate
2.1.2 InChI
InChI=1S/C6H11BrO2/c1-2-9-6(8)4-3-5-7/h2-5H2,1H3
2.1.3 InChI Key
XBPOBCXHALHJFP-UHFFFAOYSA-N
2.2 Other Identifiers
2.2.1 UNII
EZ8TY5JSD5
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 2969-81-5

2. Butanoic Acid, 4-bromo-, Ethyl Ester

3. Einecs 221-005-6

4. Nsc 133462

5. Ai3-36601

6. Dtxsid80183845

7. Dtxcid20106336

8. Butanoic Acid, 4bromo, Ethyl Ester

9. Butanoic Acid, 4bromo, Ethyl Ester (9ci)

10. Butanoic Acid, 4-bromo-, Ethyl Ester (9ci)

11. 221-005-6

12. Ethyl 4-bromobutanoate

13. 4-bromobutyric Acid Ethyl Ester

14. Mfcd00000259

15. Ethyl4-bromobutyrate

16. 4-bromo-butyric Acid Ethyl Ester

17. Brch2ch2ch2c(o)oc2h5

18. 4-bromobutanoic Acid Ethyl Ester

19. Nsc-133462

20. Ethyl-4-bromobutyrate

21. 4-bromo-n-butyric Acid Ethyl Ester

22. Ethyl 4bromobutyrate

23. Ethyl4-bromobutanoate

24. Ethyl 4-bromobutanate

25. Ethyl-4-bromobutanoate

26. Ethyl 4- Bromobutyrate

27. Ethyl 4-bromo-butyrate

28. Ethyl-4-bromo-butyrate

29. Ethyl Gamma-bromobutyrate

30. Ethyl 4-bromo-n-butyrate

31. Ethyl 4-bromobutanoate #

32. Ez8ty5jsd5

33. Ethyl .gamma.-bromobutyrate

34. 4-bromobutanoate Ethyl Ester

35. Schembl85568

36. 1-bromo-3-carboethoxypropane

37. Ethyl 4-bromobutyrate, 95%

38. 3-(ethoxycarbonyl)propyl Bromide

39. Xbpobcxhalhjfp-uhfffaoysa-

40. 4-bromobutanoic Acid, Ethyl Ester

41. Str05803

42. Nsc133462

43. Akos005066835

44. Cs-w020133

45. Fb29734

46. Bp-12819

47. Bp-31132

48. Db-029752

49. B0999

50. Ns00022005

51. En300-43960

52. F11167

53. F0001-0919

54. Inchi=1/c6h11bro2/c1-2-9-6(8)4-3-5-7/h2-5h2,1h3

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 195.05 g/mol
Molecular Formula C6H11BrO2
XLogP31.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area26.3
Heavy Atom Count9
Formal Charge0
Complexity83.1
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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