CAS 577-19-5

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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

CAS 577-19-5

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 Formula	C₆H₄BrNO₂
Molecular Weight	202.01 g/mol
XLogP3	2.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	45.8
Heavy Atom Count	10
Formal Charge	0
Complexity	134
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1