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2D Structure
Also known as: 1591-31-7, 4-iodo-1,1'-biphenyl, 1,1'-biphenyl, 4-iodo-, 1-iodo-4-phenylbenzene, P-iodobiphenyl, Monoiodobiphenyl
Molecular Formula
C12H9I
Molecular Weight
280.10  g/mol
InChI Key
NXYICUMSYKIABQ-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-iodo-4-phenylbenzene
2.1.2 InChI
InChI=1S/C12H9I/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
2.1.3 InChI Key
NXYICUMSYKIABQ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)I
2.2 Synonyms
2.2.1 MeSH Synonyms

1. 4-iodobiphenyl, 125i-labeled

2.2.2 Depositor-Supplied Synonyms

1. 1591-31-7

2. 4-iodo-1,1'-biphenyl

3. 1,1'-biphenyl, 4-iodo-

4. 1-iodo-4-phenylbenzene

5. P-iodobiphenyl

6. Monoiodobiphenyl

7. 4-iododiphenyl

8. P-phenyliodobenzene

9. 4-biphenyl Iodide

10. Biphenyl, 4-iodo-

11. Mfcd00019028

12. 1-iodo-4-phenyl-benzene

13. 4-iodobiphenyl?

14. Nsc 3791

15. Einecs 216-469-1

16. 4-biphenylyl Iodide

17. 4-iodo-biphenyl

18. 4-iodobiphenyl, 97%

19. Ai3-15372

20. 4ibp

21. 1, 4-iodo-

22. 1-iodanyl-4-phenyl-benzene

23. Schembl45621

24. Dtxsid7061807

25. Nxyicumsykiabq-uhfffaoysa-

26. Nsc3791

27. Zinc980089

28. Act08162

29. Bcp06698

30. Nsc-3791

31. Bbl002447

32. Cx1310

33. Stk325713

34. Akos000275836

35. Cs-w002119

36. Gs-3356

37. Ol10131

38. Ac-22940

39. Sy014973

40. Am20030070

41. Ft-0630340

42. I0785

43. En300-18000

44. A810002

45. A935197

46. Ae-848/30708050

47. W-107988

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 280.10 g/mol
Molecular Formula C12H9I
XLogP34.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Exact Mass279.97490 g/mol
Monoisotopic Mass279.97490 g/mol
Topological Polar Surface Area0 Ų
Heavy Atom Count13
Formal Charge0
Complexity141
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1