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Also known as: 533-58-4, O-iodophenol, Phenol, 2-iodo-, Phenol, o-iodo-, O-jodphenol, 2-iodanylphenol
Molecular Formula
C6H5IO
Molecular Weight
220.01  g/mol
InChI Key
KQDJTBPASNJQFQ-UHFFFAOYSA-N
FDA UNII
F27L34A8B9

CAS 533-58-4
1 2D Structure

CAS 533-58-4

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-iodophenol
2.1.2 InChI
InChI=1S/C6H5IO/c7-5-3-1-2-4-6(5)8/h1-4,8H
2.1.3 InChI Key
KQDJTBPASNJQFQ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC=C(C(=C1)O)I
2.2 Other Identifiers
2.2.1 UNII
F27L34A8B9
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 2-iodophenol, 123i-labeled

2. O-iodophenol

3. Ortho-iodophenol

2.3.2 Depositor-Supplied Synonyms

1. 533-58-4

2. O-iodophenol

3. Phenol, 2-iodo-

4. Phenol, O-iodo-

5. O-jodphenol

6. 2-iodanylphenol

7. O-jodfenol

8. 2-jodfenol

9. Mfcd00013963

10. Iodophenol

11. 2-jodphenol

12. 30587-23-6

13. Chebi:16706

14. F27l34a8b9

15. Nsc-9245

16. Phenol, Iodo-

17. O-jodfenol [czech]

18. 2-jodfenol [czech]

19. Nsc 9245

20. Einecs 208-569-9

21. Brn 1855300

22. Unii-f27l34a8b9

23. 2-iodo Phenol

24. 2-iodo-phenol

25. 2-iodophenol (2ip)

26. 2-iodophenol, 98%

27. Wln: Qr Bi

28. O-iodophenol [mi]

29. Schembl5720

30. 4-06-00-01070 (beilstein Handbook Reference)

31. Chembl225564

32. Dtxsid5052175

33. Nsc9245

34. Bdbm217397

35. Zinc409257

36. Str06375

37. Stl280542

38. Akos009156984

39. Ac-4390

40. Am87042

41. Cs-w008896

42. Ps-7876

43. Bp-21314

44. Sy005097

45. Db-014125

46. Ft-0632327

47. I0460

48. C01874

49. H11264

50. A829536

51. J-200045

52. Q27102035

53. Z1235963356

54. 6x8

2.4 Create Date
2004-09-16
3 Chemical and Physical Properties
Molecular Weight 220.01 g/mol
Molecular Formula C6H5IO
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass219.93851 g/mol
Monoisotopic Mass219.93851 g/mol
Topological Polar Surface Area20.2 Ų
Heavy Atom Count8
Formal Charge0
Complexity74.9
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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