CAS 88-67-5

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5 End Use APIs
22 Related Intermediates

Chemistry

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Also known as: 88-67-5, O-iodobenzoic acid, Benzoic acid, 2-iodo-, Iodobenzoic acid, Benzoic acid, o-iodo-, Kyselina o-jodbenzoova

Molecular Formula

C₇H₅IO₂

Molecular Weight

248.02 g/mol

InChI Key

CJNZAXGUTKBIHP-UHFFFAOYSA-N

FDA UNII

7Q00V80J7Q

1 2D Structure

CAS 88-67-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-iodobenzoic acid

2.1.2 InChI

InChI=1S/C7H5IO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)

2.1.3 InChI Key

CJNZAXGUTKBIHP-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C(C(=C1)C(=O)O)I

2.2 Other Identifiers

2.2.1 UNII

7Q00V80J7Q

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 2-iodobenzoic Acid, 123i-labeled

2. 2-iodobenzoic Acid, 125i-labeled

3. 2-iodobenzoic Acid, 131i-labeled

4. 2-iodobenzoic Acid, Monosodium Salt

5. 2-iodobenzoic Acid, Monosodium Salt, 131i-labeled

6. 2-iodobenzoic Acid, Potassium Salt

7. 2-iodobenzoic-(125)i Acid

8. O-iodobenzoic-(125)i Acid

9. Oisb

10. Ortho-iodo-sodium Benzoate

11. Progonasyl

12. Sodium 2-iodobenzoate

2.3.2 Depositor-Supplied Synonyms

1. 88-67-5

2. O-iodobenzoic Acid

3. Benzoic Acid, 2-iodo-

4. Iodobenzoic Acid

5. Benzoic Acid, O-iodo-

6. Kyselina O-jodbenzoova

7. Usaf Ek-572

8. 2-iodo Benzoic Acid

9. 2-iodo-benzoic Acid

10. Mfcd00002419

11. O-jod-benzoesaeure

12. 2-jod-benzoesaeure

13. Chebi:287979

14. 7q00v80j7q

15. Nsc-3772

16. Benzoic Acid, Iodo-

17. Kyselina O-jodbenzoova [czech]

18. Nsc 3772

19. Einecs 201-850-7

20. Brn 1861406

21. Unii-7q00v80j7q

22. Ai3-01811

23. 1321-07-9

24. 2iodobenzoic Acid

25. 2-(iodo-(125)i)-benzoic Acid

26. 2 Iodobenzoic Acid

27. Ortho-iodobenzoic Acid

28. Benzoic Acid, 2-iodo

29. Ortho-iodo Benzoic Acid

30. 2-iodobenzoicacid

31. Maybridge1_001326

32. Wln: Qvr Bi

33. 2-iodobenzoic Acid, 98%

34. Schembl40612

35. Chembl112424

36. Dtxsid6058976

37. O-iodobenzoic Acid [mi]

38. Hms545e06

39. Zinc90931

40. Nsc3772

41. Act12259

42. Cs-d0909

43. Str04823

44. Stk256890

45. Akos000119657

46. Bs-4598

47. Ccg-233561

48. Kyselina O-jodbenzoova2iodobenzoic Acid

49. Ncgc00336388-01

50. Ac-26054

51. Sri-10864-03

52. Sy001344

53. Db-014123

54. Am20041295

55. Ft-0612665

56. Ft-0659004

57. I0053

58. 2-iodobenzoic Acid, Purum, >=95.0% (gc)

59. A20364

60. Aa-506/30136037

61. Q2535469

62. W-100392

63. 2-iodobenzoic Acid, >=99%, Purified By Sublimation

64. F0001-2188

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₇H₅IO₂
Molecular Weight	248.02 g/mol
XLogP3	2.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	247.93343 g/mol
Monoisotopic Mass	247.93343 g/mol
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	136
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