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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

CAS 450-91-9
1 2D Structure

CAS 450-91-9

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

BUILDING BLOCK

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