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2D Structure
Also known as: 821-06-7, (e)-1,4-dibromobut-2-ene, Trans-1,4-dibromo-2-butene, (e)-1,4-dibromo-2-butene, 1,4-dibromobut-2-ene, 6974-12-5
Molecular Formula
C4H6Br2
Molecular Weight
213.90  g/mol
InChI Key
RMXLHIUHKIVPAB-OWOJBTEDSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(E)-1,4-dibromobut-2-ene
2.1.2 InChI
InChI=1S/C4H6Br2/c5-3-1-2-4-6/h1-2H,3-4H2/b2-1+
2.1.3 InChI Key
RMXLHIUHKIVPAB-OWOJBTEDSA-N
2.1.4 Canonical SMILES
C(C=CCBr)Br
2.1.5 Isomeric SMILES
C(/C=C/CBr)Br
2.2 Synonyms
2.2.1 MeSH Synonyms

1. Trans-1,4-dibromo-2-butene

2.2.2 Depositor-Supplied Synonyms

1. 821-06-7

2. (e)-1,4-dibromobut-2-ene

3. Trans-1,4-dibromo-2-butene

4. (e)-1,4-dibromo-2-butene

5. 1,4-dibromobut-2-ene

6. 6974-12-5

7. 2-butene, 1,4-dibromo-, (2e)-

8. Trans-1,4-dibromobut-2-ene

9. (2e)-1,4-dibromobut-2-ene

10. 1,4-dibromo-2-butylene

11. Tl 80

12. 2-butene, 1,4-dibromo-

13. (2e)-1,4-dibromo-2-butene

14. 30794-77-5

15. Mfcd00000249

16. Einecs 212-472-7

17. Brn 1719696

18. Einecs 230-219-9

19. 2-butene, 1,4-dibromo-, (e)-

20. Brn 1719694

21. 2-butene, 1,4-dibromo-, Trans-

22. 1,4-dibromo-2-buten

23. Dsstox_cid_4941

24. E-1,4-dibromobut-2-ene

25. Ec 212-472-7

26. Dsstox_rid_77591

27. Dsstox_gsid_24941

28. 1,4-trans-dibromo-2-butene

29. 4-01-00-00791 (beilstein Handbook Reference)

30. Trans 1,4-dibromobut-2-ene

31. Schembl102759

32. Schembl137154

33. (e)-1,4-dibromo-but-2-ene

34. Chembl1324439

35. Dtxsid8024941

36. Act03298

37. Bcp28223

38. Zinc1602462

39. Tox21_202728

40. Stl280288

41. Trans-1,4-dibromo-2-butene, 99%

42. Akos015833855

43. Fs-4554

44. Ncgc00091773-01

45. Ncgc00260276-01

46. Cas-821-06-7

47. Ls-12982

48. Db-027256

49. Cs-0017873

50. D2944

51. A19492

52. D72529

53. F16803

54. 2-01-00-00177 (beilstein Handbook Reference)

55. W-104187

2.3 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 213.90 g/mol
Molecular Formula C4H6Br2
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count2
Exact Mass213.88158 g/mol
Monoisotopic Mass211.88363 g/mol
Topological Polar Surface Area0 Ų
Heavy Atom Count6
Formal Charge0
Complexity34.8
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1