53449-14-2

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BUILDING BLOCK

1 Suppliers, 1 End Use APIs, 27 Related Intermediates

1 Suppliers
1 End Use APIs
27 Related Intermediates

Chemistry

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Also known as: 53449-14-2, 7-chloro-4-hydroxy-6-nitroquinazoline, 7-chloro-6-nitro-4-hydroxyquinazoline, 6-nitro-7-chloro-4-hydroxyquinazoline, 7-chloro-6-nitroquinazolin-4-ol, 7-chloro-6-nitroquinazolin-4-one

Molecular Formula

C₈H₄ClN₃O₃

Molecular Weight

225.59 g/mol

InChI Key

URDYTQYZXZKBQT-UHFFFAOYSA-N

1 2D Structure

53449-14-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

7-chloro-6-nitro-3H-quinazolin-4-one

2.1.2 InChI

InChI=1S/C8H4ClN3O3/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

URDYTQYZXZKBQT-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=C2C(=CC(=C1[N+](=O)[O-])Cl)N=CNC2=O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 53449-14-2

2. 7-chloro-4-hydroxy-6-nitroquinazoline

3. 7-chloro-6-nitro-4-hydroxyquinazoline

4. 6-nitro-7-chloro-4-hydroxyquinazoline

5. 7-chloro-6-nitroquinazolin-4-ol

6. 7-chloro-6-nitroquinazolin-4-one

7. 7-chloro-6-nitro-3h-quinazolin-4-one

8. 7-chloro-6-nitroquinazoline-4-ol

9. 7-chloro-6-nitro-3,4-dihydroquinazolin-4-one

10. 7-chloro-6-nitroquinazolin-4(1h)-one

11. 4(1h)-quinazolinone, 7-chloro-6-nitro-

12. 7-chloro-6-nitro-4-quinazolinol

13. Mfcd07772904

14. Ec 678-360-9

15. 7-chloro-6-nitro-quinazolin-4-one

16. Schembl642645

17. Schembl16082531

18. Amy4822

19. Dtxsid90498376

20. Urdytqyzxzkbqt-uhfffaoysa-n

21. 6-nitro-7-chloroquinazolin-4-one

22. 7-chloro-6-nitro-4-quinazolinone

23. Bcp04762

24. Mfcd20036247

25. 7-chloro-6-nitro-4(3h)-quinazolone

26. Akos005259814

27. Akos009104345

28. Akos028108850

29. Cs-w014214

30. Sb00005

31. 7-chloro-6-nitro-4(3h)-quinazolinone

32. Ac-25052

33. Ds-11929

34. Sy038096

35. C2332

36. Ft-0687568

37. 7-chloro-6-nitro-4(3h)quinazolinone, 97%

38. En300-26369

39. A22506

40. Ab00775270-01

41. Z221605224

2.3 Create Date

2019-01-16

3 Chemical and Physical Properties

Molecular Formula	C₈H₄ClN₃O₃
Molecular Weight	225.59 g/mol
XLogP3	1.2
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	15
Formal Charge	0
Complexity	328
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