CAS 2113-51-1

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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

CAS 2113-51-1

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 Formula	C₁₂H₉I
Molecular Weight	280.10 g/mol
XLogP3	4.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Exact Mass	279.97490 g/mol
Monoisotopic Mass	279.97490 g/mol
Topological Polar Surface Area	0 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	149
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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