Please Wait
Applying Filters...
Xls
2D Structure
Also known as: 2-bromochlorobenzene, 694-80-4, 2-chlorobromobenzene, Bromochlorobenzene, O-bromochlorobenzene, O-chlorobromobenzene
Molecular Formula
C6H4BrCl
Molecular Weight
191.45  g/mol
InChI Key
QBELEDRHMPMKHP-UHFFFAOYSA-N
FDA UNII
PEC7Z3YX6P

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-bromo-2-chlorobenzene
2.1.2 InChI
InChI=1S/C6H4BrCl/c7-5-3-1-2-4-6(5)8/h1-4H
2.1.3 InChI Key
QBELEDRHMPMKHP-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC=C(C(=C1)Cl)Br
2.2 Other Identifiers
2.2.1 UNII
PEC7Z3YX6P
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 2-bromochlorobenzene

2. 694-80-4

3. 2-chlorobromobenzene

4. Bromochlorobenzene

5. O-bromochlorobenzene

6. O-chlorobromobenzene

7. Benzene, 1-bromo-2-chloro-

8. 2-bromo-1-chlorobenzene

9. 1-chloro-2-bromobenzene

10. 1-bromo-2-chloro-benzene

11. Benzene, Bromochloro-

12. 28906-38-9

13. Pec7z3yx6p

14. Nsc-59694

15. 2-bromochluorobenzene

16. Unii-pec7z3yx6p

17. Unii-z0w07y466g

18. Chlorobromobenzene

19. Bromochlorobenzene (mixed Isomers)

20. 2-bromoclorobenzene

21. Einecs 211-775-1

22. Einecs 249-303-1

23. Mfcd00000532

24. Nsc 59694

25. 2-chlorophenyl Bromide

26. Ai3-31290

27. O-bromophenyl Chloride

28. 2-bromophenyl Chloride

29. Schembl251393

30. 1-bromanyl-2-chloranyl-benzene

31. 1-bromo-2-chlorobenzene, 99%

32. Dtxsid30870758

33. Z0w07y466g

34. Zinc404308

35. Nsc59694

36. Str07176

37. Akos005265527

38. Cs-w004051

39. Db-020717

40. 1-bromo-2-chlorobenzene, Analytical Standard

41. A9191

42. Am20050050

43. B0569

44. Ft-0611547

45. En300-31033

46. D77645

47. A836511

48. W-104621

49. Q27286505

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 191.45 g/mol
Molecular Formula C6H4BrCl
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass189.91849 g/mol
Monoisotopic Mass189.91849 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