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CAS 17247-58-4
PharmaCompass
  • Chemistry
CAS 17247-58-4
Also known as: 17247-58-4, Cyclobutane, (bromomethyl)-, Bromomethylcyclobutane, Sbb054975, Sfphabikimup@, Bromocyclobutylmethane
Molecular Formula
C5H9Br
Molecular Weight
149.031  g/mol
InChI Key
FLHFTXCMKFVKRP-UHFFFAOYSA-N

1 2D Structure

CAS 17247-58-4

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
bromomethylcyclobutane
2.1.2 InChI
InChI=1S/C5H9Br/c6-4-5-2-1-3-5/h5H,1-4H2
2.1.3 InChI Key
FLHFTXCMKFVKRP-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CC(C1)CBr
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 17247-58-4

2. Cyclobutane, (bromomethyl)-

3. Bromomethylcyclobutane

4. Sbb054975

5. Sfphabikimup@

6. Bromocyclobutylmethane

7. Cyclobutylmethylbromide

8. Bromomethyl-cyclobutane

9. Cydobutyl-methylbromide

10. (bromomethyl)cyclobutan

11. Pubchem23272

12. Acmc-1cfbb

13. (bromomethyl) Cyclobutane

14. (bromomethyl)-cyclobutane

15. Ac1mc1mt

16. (cyclobutyl)methyl Bromide

17. 1-(bromomethyl)cyclobutane

18. Schembl67906

19. Ksc689q3f

20. (bromomethyl)cyclobutane, 97%

21. Ctk5i9832

22. Dtxsid10370428

23. Flhftxcmkfvkrp-uhfffaoysa-n

24. Molport-001-791-928

25. Acn-s001901

26. Act03403

27. Ks-00000d2f

28. Zinc2390042

29. Anw-22580

30. Fc0704

31. Mfcd00040960

32. Akos009158288

33. Cm14105

34. Ls40121

35. Rp21247

36. Tra0159782

37. Vz20186

38. Ac-19697

39. Aj-35656

40. Ak-98701

41. Bc004900

42. Cj-08370

43. Kb-02371

44. Or001148

45. Sc-17177

46. Ab0005431

47. Ab1006797

48. Db-015880

49. Tc-072505

50. Am20070598

51. Ft-0623249

52. St24034990

53. Z1637

54. En300-91516

55. S-8012

56. 247b584

57. I14-1245

58. Q-200020

59. F0001-0626

2.3 Create Date
2005-07-19
3 Chemical and Physical Properties
Molecular Weight 149.031 g/mol
Molecular Formula C5H9Br
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Exact Mass147.989 g/mol
Monoisotopic Mass147.989 g/mol
Topological Polar Surface Area0 A^2
Heavy Atom Count6
Formal Charge0
Complexity39.2
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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