3-Chloro-4-fluoroaniline, 98%

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Chemistry

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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

CAS 367-21-5

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 Formula	C₆H₅ClFN
Molecular Weight	145.56 g/mol
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	145.0094550 g/mol
Monoisotopic Mass	145.0094550 g/mol
Topological Polar Surface Area	26 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	99.1
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