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Also known as: 611-09-6, 5-nitroindoline-2,3-dione, 5-nitro-1h-indole-2,3-dione, 5-nitroindole-2,3-dione, 1h-indole-2,3-dione, 5-nitro-, N-nitroisatin
Molecular Formula
C8H4N2O4
Molecular Weight
192.13  g/mol
InChI Key
UNMYHYODJHKLOC-UHFFFAOYSA-N
FDA UNII
J4J633881Z

CAS 611-09-6
1 2D Structure

CAS 611-09-6

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
5-nitro-1H-indole-2,3-dione
2.1.2 InChI
InChI=1S/C8H4N2O4/c11-7-5-3-4(10(13)14)1-2-6(5)9-8(7)12/h1-3H,(H,9,11,12)
2.1.3 InChI Key
UNMYHYODJHKLOC-UHFFFAOYSA-N
2.2 Other Identifiers
2.2.1 UNII
J4J633881Z
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 611-09-6

2. 5-nitroindoline-2,3-dione

3. 5-nitro-1h-indole-2,3-dione

4. 5-nitroindole-2,3-dione

5. 1h-indole-2,3-dione, 5-nitro-

6. N-nitroisatin

7. Isatin, 5-nitro-

8. Indole-2,3-dione, 5-nitro-

9. Ccris 4031

10. 2,3-dihydro-5-nitroindole-2,3-dione

11. Einecs 210-252-5

12. 5-nitro-2,3-indolinedione

13. Nsc 525798

14. Brn 0180223

15. Dtxsid8049331

16. Nitroisatin, 5-

17. J4j633881z

18. Nsc-525798

19. Dtxcid3029287

20. 5-21-10-00267 (beilstein Handbook Reference)

21. Isatin, 5-nitro-(6ci)

22. 1h-indole-2,3-dione, 5-nitro-(9ci)

23. 210-252-5

24. Mfcd00005720

25. Chembl118305

26. 5-nitro-2,3-dihydro-1h-indole-2,3-dione

27. 5-nitroisatine

28. 5-nitrosotin

29. Unii-j4j633881z

30. Nsc525798

31. 5-nitroisatin, 97%

32. Indole-2, 5-nitro-

33. Isatin-based Compound, 37

34. 1h-indole-2, 5-nitro-

35. Schembl455170

36. Bdbm10299

37. Bdbm22817

38. Unmyhyodjhkloc-uhfffaoysa-

39. Chebi:149791

40. Albb-002904

41. Tox21_202937

42. Bbl015500

43. Stk098524

44. Akos000200257

45. Ac-5034

46. Ccg-207875

47. Cs-w007582

48. Ncgc00260483-01

49. As-15628

50. Cas-611-09-6

51. Pd119678

52. Sy039358

53. Db-053794

54. Db-368782

55. N0572

56. Ns00034572

57. En300-17341

58. O11481

59. Q27281191

60. Z56922091

61. Inchi=1/c8h4n2o4/c11-7-5-3-4(10(13)14)1-2-6(5)9-8(7)12/h1-3h,(h,9,11,12)

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 192.13 g/mol
Molecular Formula C8H4N2O4
XLogP30.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area92
Heavy Atom Count14
Formal Charge0
Complexity309
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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