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CAS 371-41-5 manufacturers and suppliers on PharmaCompass

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4fluoro phenol
Also known as: 371-41-5, P-fluorophenol, Phenol, 4-fluoro-, Phenol, p-fluoro-, 4-fluoro phenol, 4-fluoro-phenol
Molecular Formula
C6H5FO
Molecular Weight
112.10  g/mol
InChI Key
RHMPLDJJXGPMEX-UHFFFAOYSA-N
FDA UNII
K6DT6TR5E5

1 2D Structure

4fluoro phenol

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-fluorophenol
2.1.2 InChI
InChI=1S/C6H5FO/c7-5-1-3-6(8)4-2-5/h1-4,8H
2.1.3 InChI Key
RHMPLDJJXGPMEX-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=CC=C1O)F
2.2 Other Identifiers
2.2.1 UNII
K6DT6TR5E5
2.3 Synonyms
2.3.1 MeSH Synonyms

1. P-fluorophenol

2.3.2 Depositor-Supplied Synonyms

1. 371-41-5

2. P-fluorophenol

3. Phenol, 4-fluoro-

4. Phenol, P-fluoro-

5. 4-fluoro Phenol

6. 4-fluoro-phenol

7. Mfcd00002316

8. K6dt6tr5e5

9. Nsc-10295

10. Phenol, 4-fluoro

11. Para-fluorophenol

12. Fpn

13. Ccris 665

14. Einecs 206-736-0

15. Nsc 10295

16. Brn 1362752

17. 4fluorophenol

18. P-fluoro Phenol

19. P-fluoro-phenol

20. 4-flourophenol

21. 4fluoro Phenol

22. 4-flurophenol

23. 4-fluoranylphenol

24. 4-fluorophenol, 99%

25. Fluorophenol, 4-

26. Unii-k6dt6tr5e5

27. Ec 206-736-0

28. Schembl78213

29. 4-06-00-00773 (beilstein Handbook Reference)

30. 4-hydroxyphenyl Fluoride

31. Dtxsid0052047

32. Chebi:42533

33. Zinc164463

34. Nsc10295

35. Stl183322

36. Akos000119023

37. Ccg-302492

38. Cs-w008731

39. Ps-9253

40. Db-028894

41. Am20040308

42. F0160

43. Ft-0618549

44. A823540

45. W-200550

46. Q27460393

47. F0001-1065

48. Z1262246108

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 112.10 g/mol
Molecular Formula C6H5FO
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass112.032442941 g/mol
Monoisotopic Mass112.032442941 g/mol
Topological Polar Surface Area20.2 Ų
Heavy Atom Count8
Formal Charge0
Complexity66.9
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Pharmacology and Biochemistry
4.1 Metabolism/Metabolites

4-Fluorophenol has known human metabolites that include (2S,3S,4S,5R)-6-(4-fluorophenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid.

S73 | METXBIODB | Metabolite Reaction Database from BioTransformer | DOI:10.5281/zenodo.4056560


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