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Overview of CAS 162012-67-1

Client Email Product
4CH-021471
PharmaCompass
4CH-021471
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-, N-(3-chloro-4-fluorophenyl)-7-fluoro-6-nitro-4-quinazolinamine, Mfcd09998825, Ak-62406
Molecular Formula
C14H7ClF2N4O2
Molecular Weight
336.683  g/mol
InChI Key
CJOJDNRJDBWZKM-UHFFFAOYSA-N

1 2D Structure

4CH-021471

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

5. Mfcd09998825

6. Ak-62406

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

8. (3-chloro-4-fluoro-phenyl)-(7-fluoro-6-nitro-quinazolin-4-yl)-amine

9. Cjojdnrjdbwzkm-uhfffaoysa-n

10. C14h7clf2n4o2

11. Schembl25241

12. Ctk8b7861

13. Dtxsid60442902

14. N-(3-chloro-4-fluorophenyl)-7-

15. Amx10179

16. Bcp08568

17. Cs-m0991

18. Anw-58807

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

20. Zinc38540701

21. Akos015917847

22. Akos034830279

23. Cm14264

24. Pb34506

25. Qc-4223

26. Ac-27054

27. Aj-96492

28. As-11445

29. En001044

30. Sc-54644

31. Sy028080

32. Ab0009970

33. Ax8100222

34. Tc-147552

35. 4ch-021471

36. Ft-0687659

37. St24048340

38. Mfcd09998825 (97%)

39. C-8028

40. A810325

41. 3-chloro-4-fluorophenyl)(7-fluoro-6-nitroquinazoli

42. I14-9220

43. 4-(3-chloro-4-fluorophenyl)amino-6-nitro-7-fluoroquinazoline

44. 6-nitro-4-(3-chloro-4-fluorophenylamino)-7-fluoro-quinazoline

45. 4-[(3-chloro-4-fluoro-phenyl)amino]-7-fluoro-6-nitro-quinazoline

46. 4-[(3-chloro-4-fluorophenyl)amino]-6-nitro-7-fluoro-quinazoline

47. 4-[(3-chloro-4-fluorophenyl)amino]-6-nitro-7-fluoroquinazoline

48. 4-quinazolinamine,n-(3-chloro-4-fluorophenyl)-7-fluoro-6-nitro-

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

50. (3-chloro-4-fluoro-phenyl)-(7-fluoro-6-nitro-quinazoline-4-yl)-amine

51. (3-chloro-4-fluorophenyl)(7-fluoro-6-nitroquinazolin-4-yl)amine

52. 4-(3-chloro-4-fluoro-phenylamino)-7-fluoro-6-nitroquninazoline

53. N-(3-chloranyl-4-fluoranyl-phenyl)-7-fluoranyl-6-nitro-quinazolin-4-amine

2.3 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 336.683 g/mol
Molecular Formula C14H7ClF2N4O2
XLogP34.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass336.023 g/mol
Monoisotopic Mass336.023 g/mol
Topological Polar Surface Area83.6 A^2
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
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