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2D Structure
Also known as: 2-bromofluorobenzene, 1072-85-1, 2-fluorobromobenzene, O-bromofluorobenzene, O-fluorobromobenzene, 2-bromfluorbenzen
Molecular Formula
C6H4BrF
Molecular Weight
175.00  g/mol
InChI Key
IPWBFGUBXWMIPR-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-bromo-2-fluorobenzene
2.1.2 InChI
InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H
2.1.3 InChI Key
IPWBFGUBXWMIPR-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC=C(C(=C1)F)Br
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 2-bromofluorobenzene

2. 1072-85-1

3. 2-fluorobromobenzene

4. O-bromofluorobenzene

5. O-fluorobromobenzene

6. 2-bromfluorbenzen

7. Benzene, 1-bromo-2-fluoro-

8. Benzene, Bromofluoro-

9. 1-fluoro-2-bromobenzene

10. Benzene, 1-fluoro-2-bromo-

11. 1,2-fluorobromobenzene

12. 1-bromo-2-fluoro-benzene

13. Nsc 59696

14. 2-bromfluorbenzen [czech]

15. O-bromo-2-fluorobenzene

16. 2-bromo-1-fluorobenzene

17. Einecs 214-018-3

18. Bromo-fluorobenzene

19. 1-bromofluorobenzene

20. Mfcd00000282

21. O-fluoro-bromobenzene

22. 1-bromo-fluorobenzene

23. 2-bromo-fluorobenzene

24. 2-bromofluoro Benzene

25. 2-fluoro Bromobenzene

26. 2-fluorophenyl Bromide

27. Ortho-fluorobromobenzene

28. 2-fluoro-1-bromobenzene

29. Wln: Fr Be

30. 1-bromo-2-fluoro Benzene

31. Schembl153356

32. Dtxsid5061459

33. 1-bromo-2-fluorobenzene, 99%

34. Zinc404312

35. Act03367

36. Cs-b1543

37. Nsc59696

38. Nsc-59696

39. Akos005265496

40. Ac-9669

41. Am61729

42. Ol10127

43. Ps-11963

44. Db-030834

45. B0883

46. Ft-0607458

47. A20460

48. D77298

49. 1,2-fluorobromobenzene;1-bromo-2-fluoro-benzen

50. 1-bromo-2-fluorobenzene, Purum, >=98.0% (gc)

51. W-108756

52. Z1245580371

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 175.00 g/mol
Molecular Formula C6H4BrF
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass173.94804 g/mol
Monoisotopic Mass173.94804 g/mol
Topological Polar Surface Area0 Ų
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