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2D Structure
Also known as: 367-31-7, 4-fluoro-1,2-phenylenediamine, 1,2-diamino-4-fluorobenzene, 3,4-diaminofluorobenzene, 4-fluoro-o-phenylenediamine, 2-amino-4-fluoroaniline
Molecular Formula
C6H7FN2
Molecular Weight
126.13  g/mol
InChI Key
KWEWNOOZQVJONF-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-fluorobenzene-1,2-diamine
2.1.2 InChI
InChI=1S/C6H7FN2/c7-4-1-2-5(8)6(9)3-4/h1-3H,8-9H2
2.1.3 InChI Key
KWEWNOOZQVJONF-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=C(C=C1F)N)N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 367-31-7

2. 4-fluoro-1,2-phenylenediamine

3. 1,2-diamino-4-fluorobenzene

4. 3,4-diaminofluorobenzene

5. 4-fluoro-o-phenylenediamine

6. 2-amino-4-fluoroaniline

7. 3,4-diamino-1-fluorobenzene

8. 4-fluoro-1,2-diaminobenzene

9. 1,2-benzenediamine, 4-fluoro-

10. Mfcd00042228

11. 4-fluoro-1,2-benzenediamine

12. 5-fluoro-1,2-diaminobenzene

13. Einecs 206-691-7

14. 4-fluorophenylenediamine

15. Schembl103128

16. 4-fluoro-1,2-phenylendiamine

17. 4-fluoro-benzene-1,2-diamine

18. 4-fluoro-ortho-phenylenediamine

19. 4-fluoro-1,2-phenylene Diamine

20. Dtxsid30190145

21. Zinc152599

22. Act03041

23. Cl8380

24. Akos005292224

25. 4-fluoro-1,2-phenylenediamine, 97%

26. Ab01910

27. Ac-9694

28. Am61498

29. Ccg-302500

30. Cs-w007604

31. Ms-8972

32. Sy016073

33. Bb 0258962

34. D3726

35. Ft-0632050

36. En300-45055

37. J-515396

38. F0001-1053

39. Z273611666

2.3 Create Date
2005-07-19
3 Chemical and Physical Properties
Molecular Weight 126.13 g/mol
Molecular Formula C6H7FN2
XLogP30.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass126.05932639 g/mol
Monoisotopic Mass126.05932639 g/mol
Topological Polar Surface Area52 Ų
Heavy Atom Count9
Formal Charge0
Complexity97.1
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1