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2D Structure
Also known as: 162012-69-3, 7-fluoro-6-nitro-4-hydroxyquinazoline, 7-fluoro-6-nitroquinazolin-4-ol, 7-fluoro-6-nitro-1h-quinazolin-4-one, 7-fluoro-6-nitro-3,4-dihydroquinazolin-4-one, 7-fluoro-6-nitroquinazolin-4(1h)-one
Molecular Formula
C8H4FN3O3
Molecular Weight
209.13  g/mol
InChI Key
VTUAEMSZEIGQRM-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
7-fluoro-6-nitro-3H-quinazolin-4-one
2.1.2 InChI
InChI=1S/C8H4FN3O3/c9-5-2-6-4(1-7(5)12(14)15)8(13)11-3-10-6/h1-3H,(H,10,11,13)
2.1.3 InChI Key
VTUAEMSZEIGQRM-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=C2C(=CC(=C1[N+](=O)[O-])F)N=CNC2=O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 162012-69-3

2. 7-fluoro-6-nitro-4-hydroxyquinazoline

3. 7-fluoro-6-nitroquinazolin-4-ol

4. 7-fluoro-6-nitro-1h-quinazolin-4-one

5. 7-fluoro-6-nitro-3,4-dihydroquinazolin-4-one

6. 7-fluoro-6-nitroquinazolin-4(1h)-one

7. 4(1h)-quinazolinone, 7-fluoro-6-nitro-

8. 7-fluoro-6-nitro-3h-quinazolin-4-one

9. 7-fluoro-6-nitro-4(h)-quinazoline

10. 7-fluoro-4-hydroxy-6-nitroquinazoline

11. 7-fluoro-6-nitro-4-hydroxy-quinazoline

12. Schembl25844

13. Vtuaemszeigqrm-uhfffaoysa-

14. Dtxsid10427688

15. Cs-b0788

16. Zinc3888591

17. Mfcd07841697

18. Mfcd08458874

19. Akos000119293

20. Akos009079807

21. Akos025213097

22. Fd13097

23. Gs-4123

24. Mb05113

25. Pb14608

26. 7-fluoro-6-nitroquinazoline-4(3h)-one

27. Ac-22518

28. Sy027331

29. A3595

30. Am20030090

31. F1091

32. Ft-0660825

33. En300-23573

34. 7-fluoro-6-nitro-1,4-dihydroquinazolin-4-one

35. Ab00739749-01

36. 012f693

37. 012q693

38. 7-fluoro-6-nitro-4-hydroxy-quinazoline, Aldrichcpr

39. J-009884

40. J-519254

2.3 Create Date
2019-01-10
3 Chemical and Physical Properties
Molecular Weight 209.13 g/mol
Molecular Formula C8H4FN3O3
XLogP30.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass209.02366916 g/mol
Monoisotopic Mass209.02366916 g/mol
Topological Polar Surface Area87.3 Ų
Heavy Atom Count15
Formal Charge0
Complexity328
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1