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Also known as: 17420-30-3, 5-nitroanthranilonitrile, 2-cyano-4-nitroaniline, Benzonitrile, 2-amino-5-nitro-, Anthranilonitrile, 5-nitro-, 2-kyan-4-nitroanilin
Molecular Formula
C7H5N3O2
Molecular Weight
163.13  g/mol
InChI Key
MGCGMYPNXAFGFA-UHFFFAOYSA-N
FDA UNII
SEZ79WRA1J

CAS 17420-30-3
1 2D Structure

CAS 17420-30-3

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-amino-5-nitrobenzonitrile
2.1.2 InChI
InChI=1S/C7H5N3O2/c8-4-5-3-6(10(11)12)1-2-7(5)9/h1-3H,9H2
2.1.3 InChI Key
MGCGMYPNXAFGFA-UHFFFAOYSA-N
2.2 Other Identifiers
2.2.1 UNII
SEZ79WRA1J
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 17420-30-3

2. 5-nitroanthranilonitrile

3. 2-cyano-4-nitroaniline

4. Benzonitrile, 2-amino-5-nitro-

5. Anthranilonitrile, 5-nitro-

6. 2-kyan-4-nitroanilin

7. Ccris 9092

8. 2-kyan-4-nitroanilin [czech]

9. Brn 1425714

10. Sez79wra1j

11. Aniline, 2-cyano-4-nitro-

12. Einecs 241-446-8

13. Dtxsid0038839

14. 4-nitro-2-cyanoaniline

15. Dtxcid8018839

16. 3-14-00-00980 (beilstein Handbook Reference)

17. Amino-5-nitrobenzonitrile, 2-

18. 2kyan4nitroanilin

19. 2cyano4nitroaniline

20. 5nitroanthranilonitrile

21. Aniline, 2cyano4nitro

22. Benzonitrile, 2amino5nitro

23. Anthranilonitrile, 5nitro (6ci,8ci)

24. Anthranilonitrile, 5-nitro-(6ci,8ci)

25. 241-446-8

26. 2-amino-5-nitro-benzonitrile

27. Mfcd00007362

28. Unii-sez79wra1j

29. 5-nitro-anthranilonitrile

30. 4-nitro-2-cyano Aniline

31. Schembl689735

32. Chembl3560683

33. 2-amino-5-nitrobenzonitrile, 95%

34. Tox21_304032

35. Stk396674

36. Akos002271284

37. Akos025395635

38. Ac-2661

39. Cs-w014319

40. Pb47793

41. Ncgc00356958-01

42. As-10860

43. Cas-17420-30-3

44. Db-020483

45. A1314

46. Ns00025726

47. En300-18331

48. 2-amino-5-nitrobenzonitrile; 2-cyano-4-nitroaniline

49. Q27289170

50. Z57902192

51. F0020-1807

52. Inchi=1/c7h5n3o2/c8-4-5-3-6(10(11)12)1-2-7(5)9/h1-3h,9h

2.4 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 163.13 g/mol
Molecular Formula C7H5N3O2
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area95.6
Heavy Atom Count12
Formal Charge0
Complexity227
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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