CAS 162012-67-1

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4 End Use APIs
24 Related Intermediates

Chemistry

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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

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 Formula	C₁₄H₇ClF₂N₄O₂
Molecular Weight	336.68 g/mol
XLogP3	4.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Exact Mass	336.0225595 g/mol
Monoisotopic Mass	336.0225595 g/mol
Topological Polar Surface Area	83.6 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	442
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