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2D Structure
Also known as: 583-55-1, 2-bromoiodobenzene, O-bromoiodobenzene, 2-bromo-iodobenzene, Benzene, 1-bromo-2-iodo-, 1-bromo-2-iodo-benzene
Molecular Formula
C6H4BrI
Molecular Weight
282.90  g/mol
InChI Key
OIRHKGBNGGSCGS-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-bromo-2-iodobenzene
2.1.2 InChI
InChI=1S/C6H4BrI/c7-5-3-1-2-4-6(5)8/h1-4H
2.1.3 InChI Key
OIRHKGBNGGSCGS-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC=C(C(=C1)Br)I
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 583-55-1

2. 2-bromoiodobenzene

3. O-bromoiodobenzene

4. 2-bromo-iodobenzene

5. Benzene, 1-bromo-2-iodo-

6. 1-bromo-2-iodo-benzene

7. 533-55-1

8. 2-bromo-1-iodobenzene

9. Mfcd00001030

10. Bromoiodobenzene

11. Iodobromobenzene

12. 2-iodobromobenzene

13. Bromo Iodo Benzene

14. O-bromoiodiobenzene

15. 2-bromo Iodobenzene

16. 2-bromoiodobenzene?

17. Einecs 209-508-9

18. 1-iodo-2-bromobenzene

19. 1-bromo-2-iodo Benzene

20. 1-iodo-2-bromo Benzene

21. 2-bromo-1-iodo-benzene

22. 2-bromoiodobenzene, 99%

23. 1-bromanyl-2-iodanyl-benzene

24. Schembl192991

25. Dtxsid1060394

26. Zinc407075

27. Str09197

28. Ac7857

29. Akos005254307

30. Cs-w008713

31. Ol10151

32. Sy005125

33. Db-013828

34. A8259

35. Am20040778

36. Ft-0611569

37. A831845

38. J-504397

39. F0001-1521

2.3 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 282.90 g/mol
Molecular Formula C6H4BrI
XLogP33.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass281.85411 g/mol
Monoisotopic Mass281.85411 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