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2D Structure
Also known as: 367-21-5, 3-chloro-4-fluorobenzenamine, Benzenamine, 3-chloro-4-fluoro-, 3-chloro-4-fluorophenylamine, 3-chloro-4-fluoro-phenylamine, Aniline, 3-chloro-4-fluoro-
Molecular Formula
C6H5ClFN
Molecular Weight
145.56  g/mol
InChI Key
YSEMCVGMNUUNRK-UHFFFAOYSA-N
FDA UNII
7L63CC70UQ

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-chloro-4-fluoroaniline
2.1.2 InChI
InChI=1S/C6H5ClFN/c7-5-3-4(9)1-2-6(5)8/h1-3H,9H2
2.1.3 InChI Key
YSEMCVGMNUUNRK-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=C(C=C1N)Cl)F
2.2 Other Identifiers
2.2.1 UNII
7L63CC70UQ
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 367-21-5

2. 3-chloro-4-fluorobenzenamine

3. Benzenamine, 3-chloro-4-fluoro-

4. 3-chloro-4-fluorophenylamine

5. 3-chloro-4-fluoro-phenylamine

6. Aniline, 3-chloro-4-fluoro-

7. 3-chloro-4-fluoro Aniline

8. 4-fluoro-3-chloroaniline

9. 3-chloro-4-fluoro-aniline

10. 7l63cc70uq

11. 3-chloro-4-fluoroaniline(chunks Or Pellets)

12. Nsc-10290

13. Mfcd00007767

14. Unii-7l63cc70uq

15. Einecs 206-682-8

16. Nsc 10290

17. Gefitinib Impurity V

18. 3-chloro4-fluoroaniline

19. Norfloxacin Intermediates

20. 3-chloro-4-fluoroanilin

21. 3-chloro-4-flouroaniline

22. 3-chloro4-fluoro-aniline

23. 4-fluoro-3-chloro-aniline

24. Schembl9602

25. 3chloro-4-fluoro-phenylamine

26. 4-fluoro-3-chlorophenylamine

27. 4-fluoro-3-chlorophenyl Amine

28. M-chloro-p-fluoroaniline

29. 4-fluoro-3-chloro Phenyl Amine

30. Dtxsid0038754

31. 3-chloro-4-fluoroaniline, 98%

32. Zinc157622

33. Act09538

34. Bcp26715

35. Nsc10290

36. Stl164339

37. Akos000119505

38. Ac-2469

39. Cs-w009142

40. Ps-8955

41. Sb00006

42. Db-023935

43. Am20060177

44. Ft-0615380

45. 67c215

46. A15531

47. C-3925

48. P19616

49. Q27268500

50. F2190-0461

51. 3-chloro-4-fluoroaniline;benzenamine, 3-chloro-4-fluoro-

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 145.56 g/mol
Molecular Formula C6H5ClFN
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass145.0094550 g/mol
Monoisotopic Mass145.0094550 g/mol
Topological Polar Surface Area26 Ų
Heavy Atom Count9
Formal Charge0
Complexity99.1
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1