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Also known as: 162012-67-1, 4-(3-chloro-4-fluorophenylamino)-7-fluoro-6-nitroquninazoline, 4-quinazolinamine, n-(3-chloro-4-fluorophenyl)-7-fluoro-6-nitro-, Mfcd09998825, N-(3-chloro-4-fluorophenyl)-7-fluoro-6-nitro-4-quinazolinamine, 4-[(3-chloro-4-fluorophenyl)amino]-7-fluoro-6-nitroquinazoline
Molecular Formula
C14H7ClF2N4O2
Molecular Weight
336.68  g/mol
InChI Key
CJOJDNRJDBWZKM-UHFFFAOYSA-N

CAS 162012-67-1
1 2D Structure

CAS 162012-67-1

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
N-(3-chloro-4-fluorophenyl)-7-fluoro-6-nitroquinazolin-4-amine
2.1.2 InChI
InChI=1S/C14H7ClF2N4O2/c15-9-3-7(1-2-10(9)16)20-14-8-4-13(21(22)23)11(17)5-12(8)18-6-19-14/h1-6H,(H,18,19,20)
2.1.3 InChI Key
CJOJDNRJDBWZKM-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=C(C=C1NC2=NC=NC3=CC(=C(C=C32)[N+](=O)[O-])F)Cl)F
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 162012-67-1

2. 4-(3-chloro-4-fluorophenylamino)-7-fluoro-6-nitroquninazoline

3. 4-quinazolinamine, N-(3-chloro-4-fluorophenyl)-7-fluoro-6-nitro-

4. Mfcd09998825

5. N-(3-chloro-4-fluorophenyl)-7-fluoro-6-nitro-4-quinazolinamine

6. 4-[(3-chloro-4-fluorophenyl)amino]-7-fluoro-6-nitroquinazoline

7. (3-chloro-4-fluoro-phenyl)-(7-fluoro-6-nitro-quinazolin-4-yl)-amine

8. Schembl25241

9. Amy6970

10. Dtxsid60442902

11. Bcp08568

12. Cs-m0991

13. N-(3-chloro-4-fluoro-phenyl)-7-fluoro-6-nitro-quinazolin-4-amine

14. Zinc38540701

15. Akos015917847

16. Akos034830279

17. Pb34506

18. Ac-27054

19. As-11445

20. Sy028080

21. Ft-0687659

22. A810325

23. 4-(3-chloro-4-fluorophenyl)amino-6-nitro-7-fluoroquinazoline

24. 6-nitro-4-(3-chloro-4-fluorophenylamino)-7-fluoro-quinazoline

25. 4-[(3-chloro-4-fluoro-phenyl)amino]-7-fluoro-6-nitro-quinazoline

26. 4-[(3-chloro-4-fluorophenyl)amino]-6-nitro-7-fluoro-quinazoline

27. 4-[(3-chloro-4-fluorophenyl)amino]-6-nitro-7-fluoroquinazoline

28. N-(3-chloro-4-fluorophenyl)-7-fluoro-6-nitroquinazoline-4-amine

29. (3-chloro-4-fluoro-phenyl)-(7-fluoro-6-nitro-quinazoline-4-yl)-amine

30. (3-chloro-4-fluorophenyl)(7-fluoro-6-nitroquinazolin-4-yl)amine

31. 4-(3-chloro-4-fluoro-phenylamino)-7-fluoro-6-nitroquninazoline

2.3 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 336.68 g/mol
Molecular Formula C14H7ClF2N4O2
XLogP34.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass336.0225595 g/mol
Monoisotopic Mass336.0225595 g/mol
Topological Polar Surface Area83.6 Ų
Heavy Atom Count23
Formal Charge0
Complexity442
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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