CAS 459-60-9

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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

CAS 459-60-9

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 Formula	C₇H₇FO
Molecular Weight	126.13 g/mol
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	126.048093005 g/mol
Monoisotopic Mass	126.048093005 g/mol
Topological Polar Surface Area	9.2 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	77
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1