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2D Structure
Also known as: O-fluorotoluene, 1-fluoro-2-methylbenzene, Benzene, 1-fluoro-2-methyl-, Ortho-fluorotoluene, Unii-l55xkb3k7h, Nsc 8859
Molecular Formula
C7H7F
Molecular Weight
110.13  g/mol
InChI Key
MMZYCBHLNZVROM-UHFFFAOYSA-N
FDA UNII
L55XKB3K7H

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-fluoro-2-methylbenzene
2.1.2 InChI
InChI=1S/C7H7F/c1-6-4-2-3-5-7(6)8/h2-5H,1H3
2.1.3 InChI Key
MMZYCBHLNZVROM-UHFFFAOYSA-N
2.2 Other Identifiers
2.2.1 UNII
L55XKB3K7H
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. O-fluorotoluene

2. 1-fluoro-2-methylbenzene

3. Benzene, 1-fluoro-2-methyl-

4. Ortho-fluorotoluene

5. Unii-l55xkb3k7h

6. Nsc 8859

7. Einecs 202-428-5

8. Brn 1853362

9. Nsc-8859

10. O-fluorotoluene [mi]

11. Dtxsid7021811

12. Ec 202-428-5

13. 4-05-00-00799 (beilstein Handbook Reference)

14. Un 2388

15. O-tolyl Fluoride

16. Dtxcid401811

17. 2-fluoro-1-methylbenzene

18. Inchi=1/c7h7f/c1-6-4-2-3-5-7(6)8/h2-5h,1h

19. Mmzycbhlnzvrom-uhfffaoysa-n

20. 95-52-3

21. Toluene, O-fluoro-

22. 1-methyl-2-fluorobenzene

23. Fluorotoluene

24. L55xkb3k7h

25. Chembl352215

26. 2-fluorotoluene-alpha-d1

27. 17359-78-3

28. 2-fluorotoluene-alpha,alpha,alpha-d3

29. 1-fluoro-2-methyl-benzene

30. 2 -fluorotoluene

31. 2-fluoro-toluene

32. 2-fluorotoluene, >=99%

33. Schembl11837

34. Nsc8859

35. 1-methylbutyl 2-methylprop-2-enoate

36. Bdbm50008541

37. Stl356491

38. Akos000119932

39. Ps-11960

40. Db-024291

41. F0039

42. Ns00002197

43. En300-19497

44. O-fluorotoluene [un2388] [flammable Liquid]

45. Q27282724

46. F0001-2273

47. Z104474026

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 110.13 g/mol
Molecular Formula C7H7F
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area0
Heavy Atom Count8
Formal Charge0
Complexity70.8
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1