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CAS 20555-91-3 manufacturers and suppliers on PharmaCompass

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CAS 20555-91-3
Also known as: 20555-91-3, 3,4-dichloroiodobenzene, Benzene, 1,2-dichloro-4-iodo-, M6au4abw4l, Maybridge1_001437, Einecs 243-874-0
Molecular Formula
C6H3Cl2I
Molecular Weight
272.89  g/mol
InChI Key
NADPFZNWCQIJJW-UHFFFAOYSA-N
FDA UNII
M6AU4ABW4L

1 2D Structure

CAS 20555-91-3

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1,2-dichloro-4-iodobenzene
2.1.2 InChI
InChI=1S/C6H3Cl2I/c7-5-2-1-4(9)3-6(5)8/h1-3H
2.1.3 InChI Key
NADPFZNWCQIJJW-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=C(C=C1I)Cl)Cl
2.2 Other Identifiers
2.2.1 UNII
M6AU4ABW4L
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 20555-91-3

2. 3,4-dichloroiodobenzene

3. Benzene, 1,2-dichloro-4-iodo-

4. M6au4abw4l

5. Maybridge1_001437

6. Einecs 243-874-0

7. Unii-m6au4abw4l

8. 3,4-dichloro-iodobenzene

9. 1,2-dichloro-5-iodobenzene

10. 1-iodo-3,4-dichlorobenzene

11. 3,4-dichloro-1-iodobenzene

12. 4-iodo-1,2-dichlorobenzene

13. Schembl80565

14. 1,2-dichloro-4-iodo-benzene

15. 3,4-dichloroiodobenzene, 98%

16. Dtxsid9066625

17. Hms545j07

18. Zinc91479

19. Act07585

20. Mfcd00019014

21. Akos009156522

22. Ac-9702

23. Am61836

24. Cs-w014025

25. As-19440

26. Db-021866

27. D1436

28. Ft-0614252

29. A20568

30. W-206532

2.4 Create Date
2005-07-19
3 Chemical and Physical Properties
Molecular Weight 272.89 g/mol
Molecular Formula C6H3Cl2I
XLogP34.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass271.86565 g/mol
Monoisotopic Mass271.86565 g/mol
Topological Polar Surface Area0 Ų
Heavy Atom Count9
Formal Charge0
Complexity97.1
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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