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2D Structure
Also known as: 615-42-9, O-diiodobenzene, Benzene, 1,2-diiodo-, Benzene, o-diiodo-, Diiodobenzene, Mfcd00001038
Molecular Formula
C6H4I2
Molecular Weight
329.90  g/mol
InChI Key
BBOLNFYSRZVALD-UHFFFAOYSA-N

1 2D Structure

2D Structure

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. Benzene, O-diiodo-

5. Diiodobenzene

6. Mfcd00001038

7. Nsc29029

8. Benzene,2-diiodo-

9. Einecs 210-425-5

10. Nsc 29029

11. 1,2-diiodo-benzene

12. Benzene, 1,2-diiodo

13. 1,2-diiodobenzene, 98%

14. Schembl28219

15. Dtxsid0060648

16. Act07587

17. Bcp05858

18. Zinc6827585

19. Nsc-29029

20. Akos009156949

21. Ac-9712

22. Cs-w007538

23. As-18656

24. Sy029579

25. 1,2-diiodobenzene(stabilizedwithcopperchip)

26. Db-005622

27. Am20040863

28. D0606

29. Ft-0606413

30. A20584

31. 615d429

32. W-105137

33. 1,2-diiodo-benzen;benzene, 1,2-diiodo-;benzene, O-diiodo-;benzene,1,2-diiodo-

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 329.90 g/mol
Molecular Formula C6H4I2
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass329.84025 g/mol
Monoisotopic Mass329.84025 g/mol
Topological Polar Surface Area0 Ų
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