6943-17-5

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CHEMISTRY

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BUILDING BLOCK

1 Suppliers, 1 End Use APIs, 8 Related Intermediates

1 Suppliers
1 End Use APIs
8 Related Intermediates

Chemistry

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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

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 Formula	C₈H₅N₃O₃
Molecular Weight	191.14 g/mol
XLogP3	0.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	87.3
Heavy Atom Count	14
Formal Charge	0
Complexity	297
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1