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Technical details about CAS 459-60-9, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: 459-60-9, 1-fluoro-4-methoxybenzene, P-fluoroanisole, Anisole, p-fluoro-, P-fluoromethoxybenzene, P-methoxyfluorobenzene
Molecular Formula
C7H7FO
Molecular Weight
126.13  g/mol
InChI Key
VIPWUFMFHBIKQI-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-fluoro-4-methoxybenzene
2.1.2 InChI
InChI=1S/C7H7FO/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3
2.1.3 InChI Key
VIPWUFMFHBIKQI-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC1=CC=C(C=C1)F
2.2 Synonyms
2.2.1 MeSH Synonyms

1. P-fluoroanisole

2.2.2 Depositor-Supplied Synonyms

1. 459-60-9

2. 1-fluoro-4-methoxybenzene

3. P-fluoroanisole

4. Anisole, P-fluoro-

5. P-fluoromethoxybenzene

6. P-methoxyfluorobenzene

7. Benzene, 1-fluoro-4-methoxy-

8. P-fluorophenyl Methyl Ether

9. 1-fluoro-4-methoxy-benzene

10. 4-fluoroanisol

11. 4-fluoranisole

12. 4-fluoro-anisole

13. Nsc4672

14. Nsc 4672

15. Einecs 207-295-7

16. Mfcd00000348

17. Ai3-10595

18. Para-fluoroanisole

19. 4-fluoroanisole, 99%

20. Schembl8298

21. Dtxsid3060033

22. Schembl12015227

23. Zinc404414

24. Bcp24441

25. Nsc-4672

26. Ck1195

27. Akos005259464

28. Cs-w016565

29. Ps-9186

30. Db-024091

31. Am20040516

32. F0231

33. Ft-0618503

34. A826944

35. W-106105

36. Q63395414

37. F0001-1244

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 126.13 g/mol
Molecular Formula C7H7FO
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass126.048093005 g/mol
Monoisotopic Mass126.048093005 g/mol
Topological Polar Surface Area9.2 Ų
Heavy Atom Count9
Formal Charge0
Complexity77
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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