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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

CAS 615-42-9

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 Formula	C₆H₄I₂
Molecular Weight	329.90 g/mol
XLogP3	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	329.84025 g/mol
Monoisotopic Mass	329.84025 g/mol
Topological Polar Surface Area	0 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	62.9
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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