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Also known as: 133-91-5, 2-hydroxy-3,5-diiodobenzoic acid, Benzoic acid, 2-hydroxy-3,5-diiodo-, 3,5-diiodo-2-hydroxybenzoic acid, 2-hydroxy-3,5-diiodobenzoate, 3,5-diiodosalicylate
Molecular Formula
C7H4I2O3
Molecular Weight
389.91  g/mol
InChI Key
DHZVWQPHNWDCFS-UHFFFAOYSA-N
FDA UNII
1496OH15B6

CAS 133-91-5
1 2D Structure

CAS 133-91-5

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-hydroxy-3,5-diiodobenzoic acid
2.1.2 InChI
InChI=1S/C7H4I2O3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10H,(H,11,12)
2.1.3 InChI Key
DHZVWQPHNWDCFS-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=C(C=C(C(=C1C(=O)O)O)I)I
2.2 Other Identifiers
2.2.1 UNII
1496OH15B6
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 3,5-diiodosalicylic Acid, Disodium Salt

2. 3,5-diiodosalicylic Acid, Lithium Salt

3. 3,5-diiodosalicylic Acid, Monolithium Salt

4. 3,5-diiodosalicylic Acid, Monosodium Salt

5. Lithium Di-iodosalicylate

6. Lithium Diiodosalicilate

7. Lithium Diiodosalicylate

2.3.2 Depositor-Supplied Synonyms

1. 133-91-5

2. 2-hydroxy-3,5-diiodobenzoic Acid

3. Benzoic Acid, 2-hydroxy-3,5-diiodo-

4. 3,5-diiodo-2-hydroxybenzoic Acid

5. 2-hydroxy-3,5-diiodobenzoate

6. 3,5-diiodosalicylate

7. Salicylic Acid, 3,5-diiodo-

8. 2-hydroxy-3,5-diiodo-benzoic Acid

9. 2-hydroxy-3,5-diiodobenzenecarboxylic Acid

10. Mfcd00002444

11. Nsc 6303

12. Benzoic Acid, 3,5-diiodo-2-hydroxy-

13. 3,5-di-iodo Salicylic Acid

14. Chembl1232243

15. Nsc6303

16. Nsc-6303

17. 1496oh15b6

18. Diiodosalicylic Acid

19. Diu

20. Einecs 205-124-0

21. Brn 2615358

22. Ai3-33355

23. Unii-1496oh15b6

24. 3,5-diidosalicylic Acid

25. 3.5-diiodosalicylic Acid

26. Salicylic Acid,5-diiodo-

27. 3,5-di-iodosalicylicacid

28. 3,5-diiodo Salicylic Acid

29. Ec 205-124-0

30. Wln: Qvr Bq Ci Ei

31. 3,5 -diiodo Salicylic Acid

32. 1321-04-6

33. Schembl425350

34. Dtxsid3059636

35. 3,5-diiodosalicylic Acid, 99%

36. Bcp21693

37. Zinc3860382

38. Bdbm50404080

39. Stk301498

40. Akos001049528

41. Cs-w009393

42. Db04674

43. 3,5-diiodosalicylic Acid [mi]

44. Ac-23693

45. As-12979

46. Sy014327

47. D1677

48. Ft-0614632

49. D88046

50. Q223023

51. Sr-01000048884

52. J-650227

53. Sr-01000048884-1

54. W-108290

55. Z56957494

56. 3,5-diiodo-2-hydroxybenzoic Acid Pound>>2-hydroxy-3,5-diiodobenzoic Acid

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 389.91 g/mol
Molecular Formula C7H4I2O3
XLogP34.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass389.82499 g/mol
Monoisotopic Mass389.82499 g/mol
Topological Polar Surface Area57.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity186
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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