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Overview of CAS 20555-91-3

Client Email Product
4CH-013245
PharmaCompass
  • Chemistry
4CH-013245
Also known as: 1,2-dichloro-4-iodobenzene, 20555-91-3, 3,4-dichloroiodobenzene, Nadpfznwcqijjw-uhfffaoysa-n, Mfcd00019014, Maybridge1_001437
Molecular Formula
C6H3Cl2I
Molecular Weight
272.894  g/mol
InChI Key
NADPFZNWCQIJJW-UHFFFAOYSA-N

1 2D Structure

4CH-013245

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 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1,2-dichloro-4-iodobenzene

2. 20555-91-3

3. 3,4-dichloroiodobenzene

4. Nadpfznwcqijjw-uhfffaoysa-n

5. Mfcd00019014

6. Maybridge1_001437

7. Einecs 243-874-0

8. Pubchem3691

9. Acmc-209fbv

10. Ac1q3hnt

11. 3,4-dichloro-iodobenzene

12. Ac1l3g2c

13. 1,2-dichloro-5-iodobenzene

14. 1-iodo-3,4-dichlorobenzene

15. 3,4-dichloro-1-iodobenzene

16. 4-iodo-1,2-dichlorobenzene

17. Schembl80565

18. 1,2-dichloro-4-iodo-benzene

19. 3,4-dichloroiodobenzene, 98%

20. Dtxsid9066625

21. Ctk3j3075

22. Hms545j07

23. Ks-00000kaf

24. Zinc91479

25. Attercop-chm At115341

26. Acn-s002717

27. Act07585

28. Anw-24137

29. Akos009156522

30. Ac-9702

31. Am61836

32. As03085

33. Cm12204

34. Cs-w014025

35. Mcule-8522842221

36. Rp06517

37. Rtr-009608

38. Vz25492

39. Tra-0183735

40. Aj-10861

41. Ak-79127

42. As-19440

43. Sc-02322

44. Sy029576

45. Zb003215

46. Db-021866

47. St2414759

48. Tr-009608

49. 4ch-013245

50. Ft-0614252

51. X8199

52. Mfcd00019014 (97%)

53. A20568

54. B-7775

55. I01-4695

56. I01-7793

57. W-206532

2.3 Create Date
2005-07-19
3 Chemical and Physical Properties
Molecular Weight 272.894 g/mol
Molecular Formula C6H3Cl2I
XLogP34.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass271.866 g/mol
Monoisotopic Mass271.866 g/mol
Topological Polar Surface Area0 A^2
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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