CAS 533-58-4

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3 End Use APIs
9 Related Intermediates

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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

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 Formula	C₆H₅IO
Molecular Weight	220.01 g/mol
XLogP3	2.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	219.93851 g/mol
Monoisotopic Mass	219.93851 g/mol
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	74.9
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