6943-17-5 manufacturers and suppliers on PharmaCompass

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Also known as: 6943-17-5, 6-nitroquinazolin-4-ol, 4-hydroxy-6-nitroquinazoline, 6-nitro-4(3h)-quinazolinone, 6-nitro-3h-quinazolin-4-one, 6-nitro-4-quinazolone
Molecular Formula
C8H5N3O3
Molecular Weight
191.14  g/mol
InChI Key
MOBNCKURXDGQCB-UHFFFAOYSA-N

6943-17-5
1 2D Structure

6943-17-5

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
6-nitro-3H-quinazolin-4-one
2.1.2 InChI
InChI=1S/C8H5N3O3/c12-8-6-3-5(11(13)14)1-2-7(6)9-4-10-8/h1-4H,(H,9,10,12)
2.1.3 InChI Key
MOBNCKURXDGQCB-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC2=C(C=C1[N+](=O)[O-])C(=O)NC=N2
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 6943-17-5

2. 6-nitroquinazolin-4-ol

3. 4-hydroxy-6-nitroquinazoline

4. 6-nitro-4(3h)-quinazolinone

5. 6-nitro-3h-quinazolin-4-one

6. 6-nitro-4-quinazolone

7. 6-nitroquinazolin-4(1h)-one

8. 6-nitro-1h-quinazolin-4-one

9. 6-nitro-3,4-dihydroquinazolin-4-one

10. Chembl1373905

11. 6-nitroquinazoline-4(3h)-one

12. Nsc51669

13. 6-nitro-4-quinazolinol

14. 6-nitroquinazolin-4-one

15. 6-nitro-quinazolin-4-one

16. Oprea1_385210

17. 6-nitro-4(3h)-quinazolone

18. 6-nitroquinazolin-4(h)-one

19. Mls000588961

20. Schembl158065

21. Dtxsid50287586

22. Hms2749g24

23. Bcp13672

24. Ar2756

25. Bbl025877

26. Bdbm50365142

27. Mfcd00137845

28. Mfcd00232907

29. Nsc-51669

30. Stl284634

31. Akos001073222

32. Akos006229751

33. Akos032947385

34. Ab05016

35. Ac-28225

36. Smr000212597

37. Sy006297

38. A9185

39. Am20041023

40. Cs-0042921

41. Eu-0001225

42. Ft-0646485

43. En300-34534

44. 5t-0638

45. Sr-01000397809

46. Sr-01000397809-1

47. Z2575039414

2.3 Create Date
2019-01-10
3 Chemical and Physical Properties
Molecular Weight 191.14 g/mol
Molecular Formula C8H5N3O3
XLogP30.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area87.3
Heavy Atom Count14
Formal Charge0
Complexity297
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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