CAS 1072-85-1

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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

CAS 1072-85-1

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 Formula	C₆H₄BrF
Molecular Weight	175.00 g/mol
XLogP3	2.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	173.94804 g/mol
Monoisotopic Mass	173.94804 g/mol
Topological Polar Surface Area	0 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	74.9
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

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