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2D Structure
Also known as: 2113-51-1, 2-iodo-1,1'-biphenyl, 1,1'-biphenyl, 2-iodo-, 1-iodo-2-phenylbenzene, O-iodobiphenyl, O-phenyliodobenzene
Molecular Formula
C12H9I
Molecular Weight
280.10  g/mol
InChI Key
QFUYDAGNUJWBSM-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-iodo-2-phenylbenzene
2.1.2 InChI
InChI=1S/C12H9I/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H
2.1.3 InChI Key
QFUYDAGNUJWBSM-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC=C(C=C1)C2=CC=CC=C2I
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 2113-51-1

2. 2-iodo-1,1'-biphenyl

3. 1,1'-biphenyl, 2-iodo-

4. 1-iodo-2-phenylbenzene

5. O-iodobiphenyl

6. O-phenyliodobenzene

7. 2-iodo-biphenyl

8. Biphenyl, 2-iodo-

9. 1,1'-biphenyl, Iodo-

10. Mfcd00039396

11. 2-iodo-1-phenylbenzene

12. 1-iodo-2-phenyl-benzene

13. 2- Iodobiphenyl

14. Nsc9283

15. Nsc 9283

16. Einecs 218-303-3

17. 2-iodobiphenyl, 96%

18. Ai3-15371

19. 1, 2-iodo-

20. 2-iodo-1,1'-biphenyl #

21. 64420-96-8

22. Schembl154146

23. Dtxsid0062185

24. Qfuydagnujwbsm-uhfffaoysa-

25. Act07814

26. Amy28267

27. Nsc-9283

28. Zinc1699896

29. Cx1313

30. Akos015899885

31. Ab01776

32. Cs-w007659

33. Gs-6880

34. Sy029962

35. Db-021236

36. Ft-0612674

37. Ft-0698692

38. I0967

39. 10.14272/qfuydagnujwbsm-uhfffaoysa-n

40. 1,1'-biphenyl-2,3,4,5,6-d5, 2'-iodo-

41. 113i511

42. Doi:10.14272/qfuydagnujwbsm-uhfffaoysa-n.1

43. W-107573

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 280.10 g/mol
Molecular Formula C12H9I
XLogP34.2
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
Complexity149
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1