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2D Structure
Also known as: 618-87-1, Aniline, 3,5-dinitro-, Benzenamine, 3,5-dinitro-, Ccris 3109, Nsc 284, Einecs 210-567-8
Molecular Formula
C6H5N3O4
Molecular Weight
183.12  g/mol
InChI Key
MPBZUKLDHPOCLS-UHFFFAOYSA-N
FDA UNII
0AHR6K1N73

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3,5-dinitroaniline
2.1.2 InChI
InChI=1S/C6H5N3O4/c7-4-1-5(8(10)11)3-6(2-4)9(12)13/h1-3H,7H2
2.1.3 InChI Key
MPBZUKLDHPOCLS-UHFFFAOYSA-N
2.2 Other Identifiers
2.2.1 UNII
0AHR6K1N73
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 618-87-1

2. Aniline, 3,5-dinitro-

3. Benzenamine, 3,5-dinitro-

4. Ccris 3109

5. Nsc 284

6. Einecs 210-567-8

7. Brn 0648811

8. 0ahr6k1n73

9. Nsc-284

10. 1-amino-3,5-dinitrobenzene

11. Dtxsid0044151

12. (3,5-dinitrophenyl)amine

13. Aniline, Dinitro-

14. Dtxcid8024151

15. Benzenamine, 3,5-dinitro-(9ci)

16. Benzenamine, Ar, Ar-dinitro-

17. 210-567-8

18. Dinitroaniline

19. Dinitroanilines

20. Mfcd00007263

21. 3,5-dinitroanilin

22. Unii-0ahr6k1n73

23. Nsc284

24. Aniline,5-dinitro-

25. Schembl65293

26. 3,5-dinitroaniline, 97%

27. Benzeneamine, 3,5-dinitro-

28. Stl560140

29. Akos001116893

30. Fd32324

31. As-47691

32. D2458

33. Ns00002923

34. En300-18766

35. F15469

36. A833468

37. Ao-800/41069722

38. Q27236538

39. Inchi=1/c6h5n3o4/c7-4-1-5(8(10)11)3-6(2-4)9(12)13/h1-3h,7h

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 183.12 g/mol
Molecular Formula C6H5N3O4
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area118
Heavy Atom Count13
Formal Charge0
Complexity199
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1