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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, Benzenamine, 3-chloro-4-[(3-fluorophenyl)methoxy]-, Mfcd06809822
Molecular Formula
C13H11ClFNO
Molecular Weight
251.68  g/mol
InChI Key
AYPFEYDGZDPAPE-UHFFFAOYSA-N

CAS 202197-26-0
1 2D Structure

CAS 202197-26-0

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

6. Mfcd06809822

7. 4-(3-fluorobenzyloxy)-3-chlorobenzenamine

8. Ec 445-590-4

9. Schembl156718

10. Dtxsid10427603

11. Bcp10606

12. Zinc3866590

13. (non-labelled)lapatinib Impurity-d4

14. 3-chloro4-(3-fluorobenzyloxy)aniline

15. Akos008093322

16. 4-(3-fluorobenzyloxy)-3-chloroaniline

17. Ac-8505

18. Sb18202

19. 3-chloro-4(m-fluoro-benzyloxy)-aniline

20. 3-chloro-4-(3-fluoro-benzyloxy)aniline

21. 3-chloro-4-(3-fluorobenzyloxy)-aniline

22. 3-choro-4-(m-fluoro-benzyloxy)-aniline

23. 4-(3-fluorobenzyloxy)-3-chloro Aniline

24. 3-chloro-4-(m-fluoro-benzyloxy)-aniline

25. Sy008144

26. Ts-00798

27. 3-chloro-4-(3-fluorobenzyloxy)phenylamine

28. Am20060861

29. Cs-0008658

30. Ft-0659411

31. En300-31606

32. 197c260

33. A814338

34. Ar-527/43363328

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

36. Q-101356

37. 3-chloro-4-[(3-fluorophenyl)methoxy]aniline Hydrochloride;3-chloro-4-(3-fluorobenzyloxy)aniline

2.3 Create Date
2006-07-29
3 Chemical and Physical Properties
Molecular Weight 251.68 g/mol
Molecular Formula C13H11ClFNO
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass251.0513198 g/mol
Monoisotopic Mass251.0513198 g/mol
Topological Polar Surface Area35.2 Ų
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

BUILDING BLOCK

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