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Overview of CAS 202197-26-0

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4CH-015527
PharmaCompass
4CH-015527
Also known as: 202197-26-0, 3-chloro-4-((3-fluorobenzyl)oxy)aniline, 3-chloro-4-[(3-fluorophenyl)methoxy]aniline, 3-chloro-4-[(3-fluorobenzyl)oxy]aniline, 4-(3-fluorobenzyloxy)-3-chlorobenzenamine, Benzenamine, 3-chloro-4-[(3-fluorophenyl)methoxy]-
Molecular Formula
C13H11ClFNO
Molecular Weight
251.685  g/mol
InChI Key
AYPFEYDGZDPAPE-UHFFFAOYSA-N

1 2D Structure

4CH-015527

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-chloro-4-[(3-fluorophenyl)methoxy]aniline
2.1.2 InChI
InChI=1S/C13H11ClFNO/c14-12-7-11(16)4-5-13(12)17-8-9-2-1-3-10(15)6-9/h1-7H,8,16H2
2.1.3 InChI Key
AYPFEYDGZDPAPE-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=CC(=C1)F)COC2=C(C=C(C=C2)N)Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 202197-26-0

2. 3-chloro-4-((3-fluorobenzyl)oxy)aniline

3. 3-chloro-4-[(3-fluorophenyl)methoxy]aniline

4. 3-chloro-4-[(3-fluorobenzyl)oxy]aniline

5. 4-(3-fluorobenzyloxy)-3-chlorobenzenamine

6. Benzenamine, 3-chloro-4-[(3-fluorophenyl)methoxy]-

7. 3-chloro-4-(3-fluoro-benzyloxy)-phenylamine

8. Ac1oemb1

9. Ac1q51mo

10. Schembl156718

11. Ctk1a1536

12. Ks-00000njo

13. Dtxsid10427603

14. Aypfeydgzdpape-uhfffaoysa-n

15. Amx10155

16. Bcp10606

17. Zinc3866590

18. (non-labelled)lapatinib Impurity-d4

19. An-484

20. Anw-49322

21. Cf-886

22. Mfcd06809822

23. Sbb051738

24. 3-chloro4-(3-fluorobenzyloxy)aniline

25. Akos008093322

26. 4-(3-fluorobenzyloxy)-3-chloroaniline

27. Ac-8505

28. Mcule-1864893975

29. Qc-1089

30. Rp28968

31. Rtc-071184

32. Sb18202

33. 3-chloro-4(m-fluoro-benzyloxy)-aniline

34. 3-chloro-4-(3-fluoro-benzyloxy)aniline

35. 3-chloro-4-(3-fluorobenzyloxy)-aniline

36. 3-choro-4-(m-fluoro-benzyloxy)-aniline

37. 4-(3-fluorobenzyloxy)-3-chloro Aniline

38. 3-chloro-4-(m-fluoro-benzyloxy)-aniline

39. Aj-46312

40. Ak-75901

41. Bc657777

42. Br-75901

43. Cj-10977

44. Sc-46159

45. Ts-00798

46. 3-chloro-4-(3-fluorobenzyloxy)phenylamine

47. 4-(3-fluorobenzyloxy)- 3-chlorobenzenamine

48. Ab0062075

49. St2410612

50. Tc-071184

51. 4ch-015527

52. Am20060861

53. Cs-0008658

54. Ft-0659411

55. En300-31606

56. S-2481

57. 3-chloro-4-[(3-fluorophenyl)methoxy]phenylamine

58. 197c260

59. Ar-527/43363328

60. 3-chloro-4-(3-fluorobenzyloxy)aniline, Aldrichcpr

61. I01-1246

62. Q-101356

2.3 Create Date
2006-07-29
3 Chemical and Physical Properties
Molecular Weight 251.685 g/mol
Molecular Formula C13H11ClFNO
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass251.051 g/mol
Monoisotopic Mass251.051 g/mol
Topological Polar Surface Area35.2 A^2
Heavy Atom Count17
Formal Charge0
Complexity242
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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