CAS 20555-91-3 | Drug Information, Uses, Side Effects, Pharma intermediate Chemistry | PharmaCompass.com

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2D Structure

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

2D Structure

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 Formula	C₆H₃Cl₂I
Molecular Weight	272.89 g/mol
XLogP3	4.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	271.86565 g/mol
Monoisotopic Mass	271.86565 g/mol
Topological Polar Surface Area	0 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	97.1
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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