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591-19-5 manufacturers and suppliers on PharmaCompass

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  • Chemistry
591-19-5
Also known as: 591-19-5, M-bromoaniline, Benzenamine, 3-bromo-, M-aminobromobenzene, Aniline, m-bromo-, 3-bromobenzenamine
Molecular Formula
C6H6BrN
Molecular Weight
172.02  g/mol
InChI Key
DHYHYLGCQVVLOQ-UHFFFAOYSA-N
FDA UNII
5Y2DRA8MJW

1 2D Structure

591-19-5

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-bromoaniline
2.1.2 InChI
InChI=1S/C6H6BrN/c7-5-2-1-3-6(8)4-5/h1-4H,8H2
2.1.3 InChI Key
DHYHYLGCQVVLOQ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=CC(=C1)Br)N
2.2 Other Identifiers
2.2.1 UNII
5Y2DRA8MJW
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 2-bromoaniline

2.3.2 Depositor-Supplied Synonyms

1. 591-19-5

2. M-bromoaniline

3. Benzenamine, 3-bromo-

4. M-aminobromobenzene

5. Aniline, M-bromo-

6. 3-bromobenzenamine

7. 3-bromo Aniline

8. 3-bromoaniline-d4

9. 3-bromo-aniline

10. Mfcd00007757

11. 5y2dra8mjw

12. Nsc-10298

13. 3-bromophenylamine

14. 1-amino-3-bromobenzene

15. 3-bromo-phenylamine

16. Aniline, 3-bromo-

17. Einecs 209-704-4

18. Nsc 10298

19. Brn 0742028

20. 3bromoaniline

21. M-bromo Aniline

22. M-bromo-aniline

23. 3-bromaniline

24. 5-bromoaniline

25. 5-bromo Aniline

26. 3-bromanylaniline

27. 3-aminophenyl Bromide

28. (3-bromophenyl)-amine

29. 3-bromoaniline, 98%

30. Unii-5y2dra8mjw

31. 3-brc6h4nh2

32. Schembl70041

33. 4-12-00-01491 (beilstein Handbook Reference)

34. Dtxsid4060448

35. Cs-d1428

36. Nsc10298

37. Stl168897

38. Akos000119107

39. Am87083

40. Ps-4136

41. Ac-10869

42. Bp-12825

43. B0542

44. Ft-0615189

45. En300-19061

46. D78531

47. A832170

48. A930101

49. W-105340

50. F5608-0065

51. Z104472516

52. Inchi=1/c6h6brn/c7-5-2-1-3-6(8)4-5/h1-4h,8h

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 172.02 g/mol
Molecular Formula C6H6BrN
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area26
Heavy Atom Count8
Formal Charge0
Complexity74.9
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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