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2D Structure
Also known as: 450-91-9, 2-methoxy-4-fluoroaniline, 4-fluoro-o-anisidine, Benzenamine, 4-fluoro-2-methoxy-, 4-fluoro-2-methoxybenzenamine, Mfcd00077536
Molecular Formula
C7H8FNO
Molecular Weight
141.14  g/mol
InChI Key
BNRRMRUVYDETQC-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-fluoro-2-methoxyaniline
2.1.2 InChI
InChI=1S/C7H8FNO/c1-10-7-4-5(8)2-3-6(7)9/h2-4H,9H2,1H3
2.1.3 InChI Key
BNRRMRUVYDETQC-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC1=C(C=CC(=C1)F)N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 450-91-9

2. 2-methoxy-4-fluoroaniline

3. 4-fluoro-o-anisidine

4. Benzenamine, 4-fluoro-2-methoxy-

5. 4-fluoro-2-methoxybenzenamine

6. Mfcd00077536

7. 4-fluoro-2-methoxy-aniline

8. 4-fluoro-2-methoxyphenylamine

9. Schembl455982

10. 2-amino-5-fluoroanisole[4-fluoro-2-methoxyaniline]

11. 4-fluoro-2-(methyloxy)aniline

12. 4-fluoro-2-methoxy-phenylamine

13. (4-fluoro-2-methoxyphenyl)amine

14. Dtxsid70543136

15. Act00116

16. Bcp11916

17. Cs-b0927

18. Zinc16159540

19. Akos000149628

20. Ccg-325856

21. Gs-4323

22. Mb00562

23. Ac-28647

24. Sy026829

25. Db-070625

26. Am20050535

27. F1003

28. Ft-0647125

29. En300-31570

30. J-515338

31. Z1262396038

2.3 Create Date
2007-02-08
3 Chemical and Physical Properties
Molecular Weight 141.14 g/mol
Molecular Formula C7H8FNO
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass141.058992041 g/mol
Monoisotopic Mass141.058992041 g/mol
Topological Polar Surface Area35.2 Ų
Heavy Atom Count10
Formal Charge0
Complexity110
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1