CAS 162012-69-3 manufacturers and suppliers on PharmaCompass

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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

CAS 162012-69-3
1 2D Structure

CAS 162012-69-3

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

BUILDING BLOCK

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