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CAS 133-91-5 manufacturers and suppliers on PharmaCompass

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CAS 133-91-5
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

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
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