CAS 5326-47-6

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Also known as: 5326-47-6, 5-iodoanthranilic acid, Benzoic acid, 2-amino-5-iodo-, Anthranilic acid, 5-iodo-, 2-amino-5-iodo-benzoic acid, Mfcd00007849

Molecular Formula

C₇H₆INO₂

Molecular Weight

263.03 g/mol

InChI Key

GOLGILSVWFKZRQ-UHFFFAOYSA-N

1 2D Structure

CAS 5326-47-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-amino-5-iodobenzoic acid

2.1.2 InChI

InChI=1S/C7H6INO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,9H2,(H,10,11)

2.1.3 InChI Key

GOLGILSVWFKZRQ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=C(C=C1I)C(=O)O)N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 5326-47-6

2. 5-iodoanthranilic Acid

3. Benzoic Acid, 2-amino-5-iodo-

4. Anthranilic Acid, 5-iodo-

5. 2-amino-5-iodo-benzoic Acid

6. Mfcd00007849

7. 5-iodoanthranil Acid

8. 2-amino-5-iodobenzoicacid

9. Nsc 302

10. Einecs 226-205-7

11. Brn 0639029

12. 5-iodo Anthranilic Acid

13. Unii-pm5qrb3p44

14. 5-iodo-2-aminobenzoic Acid

15. Timtec1_003193

16. Pm5qrb3p44

17. 2-amino-5-iodo Benzoic Acid

18. 4-14-00-01084 (beilstein Handbook Reference)

19. 5-iodo-2-amino Benzoic Acid

20. 5-iodo-2-amino-benzoic Acid

21. Schembl145394

22. Nsc302

23. Dtxsid1063776

24. Zinc32335

25. Nsc-302

26. Hms1543b03

27. 2-amino-5-iodobenzoic Acid, 97%

28. Act00517

29. Bcp22238

30. Bbl027663

31. Stk950820

32. Akos000288894

33. Cs-w002034

34. Ac-28866

35. As-14455

36. Sy007113

37. Db-024114

38. Am20060946

39. Bb 0244024

40. Ft-0602792

41. I0049

42. 5-iodo-anthranilicaci;5-iodoanthranillic Acid

43. A-6020

44. A20148

45. 326a476

46. Z56754067

47. F2191-0191

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₇H₆INO₂
Molecular Weight	263.03 g/mol
XLogP3	2.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	262.94433 g/mol
Monoisotopic Mass	262.94433 g/mol
Topological Polar Surface Area	63.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	163
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

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