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2D Structure
Also known as: 577-19-5, 2-bromonitrobenzene, O-bromonitrobenzene, O-nitrobromobenzene, 2-nitrobromobenzene, Benzene, 1-bromo-2-nitro-
Molecular Formula
C6H4BrNO2
Molecular Weight
202.01  g/mol
InChI Key
ORPVVAKYSXQCJI-UHFFFAOYSA-N
FDA UNII
QP2NF456XV

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-bromo-2-nitrobenzene
2.1.2 InChI
InChI=1S/C6H4BrNO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H
2.1.3 InChI Key
ORPVVAKYSXQCJI-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC=C(C(=C1)[N+](=O)[O-])Br
2.2 Other Identifiers
2.2.1 UNII
QP2NF456XV
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 3-bromonitrobenzene

2. O-bromonitrobenzene

2.3.2 Depositor-Supplied Synonyms

1. 577-19-5

2. 2-bromonitrobenzene

3. O-bromonitrobenzene

4. O-nitrobromobenzene

5. 2-nitrobromobenzene

6. Benzene, 1-bromo-2-nitro-

7. 2-bromo-1-nitrobenzene

8. 1-bromo-2-nitro-benzene

9. O-nitrophenyl Bromide

10. 2-bromo Nitrobenzene

11. Benzene, Bromonitro-

12. Nsc 403836

13. Ortho-bromonitrobenzene

14. Nsc-403836

15. Ccris 3113

16. Einecs 209-409-0

17. Bromnitrobenzol

18. Ai3-01564

19. 1-bromonitrobenzene

20. 2-bromo-nitrobenzene

21. 2-nitrophenyl Bromide

22. Bromonitrobenzene

23. 1-bromo-2-nitrobenze

24. 2-nitro-1-bromobenzene

25. Qp2nf456xv

26. Schembl25007

27. Ghl.pd_mitscher_leg0.917

28. Isopropyl (e)-but-2-enoate

29. 1-bromo-2-nitrobenzene, 98%

30. Dtxsid9060364

31. Act07602

32. O-nitrobromobenzene, Liquid Or Solid

33. Mfcd00007045

34. Nsc403836

35. Sc5002

36. Stl280234

37. Akos000119812

38. Ac-3283

39. Ol10147

40. Ps-6281

41. Db-019067

42. A8220

43. B0622

44. Ft-0611585

45. Ft-0663810

46. En300-19640

47. B-8941

48. 1-bromo-2-nitrobenzene 1000 Microg/ml In Acetone

49. 1-bromo-2-nitrobenzene 1000 Microg/ml In Methanol

50. J-504407

51. Q63398444

52. O-nitrobromobenzene, Liquid Or Solid [un2732] [keep Away From Food]

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 202.01 g/mol
Molecular Formula C6H4BrNO2
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass g/mol
Monoisotopic Mass g/mol
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