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Also known as: 3-bromopropan-1-ol, 627-18-9, Trimethylene bromohydrin, 1-propanol, 3-bromo-, 3-bromopropanol, 3-bromo-propan-1-ol
Molecular Formula
C3H7BrO
Molecular Weight
138.99  g/mol
InChI Key
RQFUZUMFPRMVDX-UHFFFAOYSA-N
FDA UNII
3T4AXH68FH

CAS 627-18-9
1 2D Structure

CAS 627-18-9

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-bromopropan-1-ol
2.1.2 InChI
InChI=1S/C3H7BrO/c4-2-1-3-5/h5H,1-3H2
2.1.3 InChI Key
RQFUZUMFPRMVDX-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C(CO)CBr
2.2 Other Identifiers
2.2.1 UNII
3T4AXH68FH
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 3-bromopropan-1-ol

2. 627-18-9

3. Trimethylene Bromohydrin

4. 1-propanol, 3-bromo-

5. 3-bromopropanol

6. 3-bromo-propan-1-ol

7. 3-hydroxypropyl Bromide

8. 1-bromo-3-propanol

9. 1-bromo-3-hydroxypropane

10. Unii-3t4axh68fh

11. Mfcd00002942

12. 3t4axh68fh

13. Ncgc00091086-02

14. Ccris 5979

15. 3-bromopropane-1-ol

16. Einecs 210-986-6

17. Brn 0969160

18. 3-brompropanol

19. Ai3-52315

20. 3-bromo Propanol

21. 3-bromo-propanol

22. 3-bromopropan-ol

23. Bromopropan-3-ol

24. 1-bromopropan-3-ol

25. 3-bromo Propan-1-ol

26. 3-bromanylpropan-1-ol

27. 3-bromopropanol-(1)

28. Dsstox_cid_4657

29. (3-hydroxypropyl)-bromide

30. 1-bromo-3-hydroxy-propane

31. 3-hydroxyprop-1-yl Bromide

32. Dsstox_rid_77485

33. Dsstox_gsid_24657

34. Schembl13044

35. 3-bromo-1-propanol, 97%

36. Chembl466545

37. Bromo-1-propanol, 3-

38. Dtxsid3024657

39. Bdbm36111

40. Chebi:144333

41. Str02760

42. Zinc2031639

43. Tox21_400042

44. Bbl027416

45. Stl371946

46. Akos015856419

47. Cs-w007337

48. Sb37999

49. Ncgc00091086-01

50. Ncgc00091086-03

51. Bp-30238

52. Bp-31189

53. Cas-627-18-9

54. Sy001898

55. Am20100533

56. B0641

57. Ft-0615126

58. A833950

59. J-512126

60. Q27257997

61. F0001-1683

2.4 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 138.99 g/mol
Molecular Formula C3H7BrO
XLogP30.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass137.96803 g/mol
Monoisotopic Mass137.96803 g/mol
Topological Polar Surface Area20.2 Ų
Heavy Atom Count5
Formal Charge0
Complexity16.4
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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