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Overview of CAS 615-42-9

Client Email Product
4CH-013562
PharmaCompass
  • Chemistry
4CH-013562
Also known as: 615-42-9, O-diiodobenzene, Benzene, 1,2-diiodo-, Diiodobenzene, Benzene, o-diiodo-, Mfcd00001038
Molecular Formula
C6H4I2
Molecular Weight
329.907  g/mol
InChI Key
BBOLNFYSRZVALD-UHFFFAOYSA-N

1 2D Structure

4CH-013562

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1,2-diiodobenzene
2.1.2 InChI
InChI=1S/C6H4I2/c7-5-3-1-2-4-6(5)8/h1-4H
2.1.3 InChI Key
BBOLNFYSRZVALD-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC=C(C(=C1)I)I
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 615-42-9

2. O-diiodobenzene

3. Benzene, 1,2-diiodo-

4. Diiodobenzene

5. Benzene, O-diiodo-

6. Mfcd00001038

7. 1,2-diiodobenzene, 98%

8. Bbolnfysrzvald-uhfffaoysa-n

9. 615-42-9 1,2-diiodobenzene

10. Benzene, Diiodo-

11. Nsc29029

12. Benzene,2-diiodo-

13. Einecs 210-425-5

14. Nsc 29029

15. Pubchem3831

16. Benzene, 1,2-diiodo

17. Ac1l1ylu

18. Schembl28219

19. Benzene, O-diiodo- (8ci)

20. Ksc192k7p

21. Dtxsid0060648

22. Ctk0j2577

23. Wt456

24. Act07587

25. Bcp05858

26. Zinc6827585

27. Anw-33853

28. Nsc-29029

29. Wt2213

30. Akos009156949

31. Ac-9712

32. As02129

33. Cd-1287

34. Cm12234

35. Cs-w007538

36. Rtc-020835

37. Tra0048632

38. Aj-56893

39. Ak-88372

40. An-46567

41. As-18656

42. Sc-05764

43. Sy029579

44. Db-005622

45. St2414768

46. Tc-020835

47. 4ch-013562

48. Am20040863

49. D0606

50. Ft-0081021

51. Ft-0606413

52. X0129

53. Mfcd00001038 (98%)

54. A20584

55. Y-9962

56. 615d429

57. W-105137

58. Inchi=1/c6h4i2/c7-5-3-1-2-4-6(5)8/h1-4

59. 1,2-diiodo-benzen;benzene, 1,2-diiodo-;benzene, O-diiodo-;benzene,1,2-diiodo-

60. 27496-78-2

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 329.907 g/mol
Molecular Formula C6H4I2
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass329.84 g/mol
Monoisotopic Mass329.84 g/mol
Topological Polar Surface Area0 A^2
Heavy Atom Count8
Formal Charge0
Complexity62.9
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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