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Also known as: 1-bromo-3-nitrobenzene, 3-bromonitrobenzene, 585-79-5, M-bromonitrobenzene, 3-nitrobromobenzene, M-nitrobromobenzene
Molecular Formula
C6H4BrNO2
Molecular Weight
202.01  g/mol
InChI Key
FWIROFMBWVMWLB-UHFFFAOYSA-N

CAS 585-79-5
1 2D Structure

CAS 585-79-5

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-bromo-3-nitrobenzene
2.1.2 InChI
InChI=1S/C6H4BrNO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H
2.1.3 InChI Key
FWIROFMBWVMWLB-UHFFFAOYSA-N
2.2 Synonyms
2.2.1 MeSH Synonyms

1. 3-bromonitrobenzene

2. O-bromonitrobenzene

2.2.2 Depositor-Supplied Synonyms

1. 1-bromo-3-nitrobenzene

2. 3-bromonitrobenzene

3. 585-79-5

4. M-bromonitrobenzene

5. 3-nitrobromobenzene

6. M-nitrobromobenzene

7. Nsc 7084

8. Ccris 3114

9. Einecs 209-563-9

10. Ai3-09054

11. Dtxsid3060409

12. Mbromonitrobenzene

13. Mnitrobromobenzene

14. 3nitrobromobenzene

15. 1bromo3nitrobenzene

16. Benzene, 1bromo3nitro

17. Dtxcid0042404

18. 209-563-9

19. Inchi=1/c6h4brno2/c7-5-2-1-3-6(4-5)8(9)10/h1-4

20. 1-bromo-3-nitro-benzene

21. Meta-bromonitrobenzene

22. 3-nitro-1-bromobenzene

23. Mfcd00024298

24. 61878-56-6

25. 3-bromo-1-nitrobenzene

26. 3-bromo-nitrobenzene

27. 1-bromo 3-nitrobenzene

28. 1-nitro-3-bromobenzene

29. 4-bromo-2-nitrobenzene

30. Schembl85551

31. Ghl.pd_mitscher_leg0.921

32. 1-bromo-3-nitrobenzene (unstable At 56 C) [forbidden]

33. 1-bromo-3-nitrobenzene, 97%

34. Nsc7084

35. Bcp18660

36. Nsc-7084

37. Str07175

38. M-nitrobromobenzene, Liquid Or Solid

39. Ac-183

40. Stk286023

41. Akos000121518

42. Ps-5118

43. 3-bromonitrobenzene; M-bromonitrobenzene

44. Ncgc00340597-01

45. Db-022387

46. 1-bromo-3-nitrobenzene (unstable At 56 C)

47. B0623

48. Ns00033965

49. En300-21080

50. A24686

51. E78995

52. Ab01333606-02

53. Q63392976

54. F0001-1528

55. Z104489138

56. M-nitrobromobenzene, Liquid Or Solid [un2732] [keep Away From Food]

57. M-nitrobromobenzene;1-bromo-3-nitro-benzen;1-nitro-3-brombenzen;1-nitro-3-bromobenzene;3-bromo-1-nitrobenzene

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 202.01 g/mol
Molecular Formula C6H4BrNO2
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area45.8
Heavy Atom Count10
Formal Charge0
Complexity134
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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