CAS 1493-27-2

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Also known as: 1493-27-2, 2-fluoronitrobenzene, O-fluoronitrobenzene, O-nitrofluorobenzene, 2-nitrofluorobenzene, Benzene, 1-fluoro-2-nitro-

Molecular Formula

C₆H₄FNO₂

Molecular Weight

141.10 g/mol

InChI Key

PWKNBLFSJAVFAB-UHFFFAOYSA-N

1 2D Structure

CAS 1493-27-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-fluoro-2-nitrobenzene

2.1.2 InChI

InChI=1S/C6H4FNO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H

2.1.3 InChI Key

PWKNBLFSJAVFAB-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C(C(=C1)[N+](=O)[O-])F

2.2 Synonyms

2.2.1 MeSH Synonyms

1. 2-fluoronitrobenzene

2. O-fluoronitrobenzene

3. P-fluoronitrobenzene

2.2.2 Depositor-Supplied Synonyms

1. 1493-27-2

2. 2-fluoronitrobenzene

3. O-fluoronitrobenzene

4. O-nitrofluorobenzene

5. 2-nitrofluorobenzene

6. Benzene, 1-fluoro-2-nitro-

7. 127723-77-7

8. Benzene, O-nitrofluoro-

9. Benzene, Fluoronitro-

10. Fluoronitrobenzene

11. 1-fluoro-2-nitro-benzene

12. 2-fluoro-1-nitrobenzene

13. Mfcd00007048

14. 2-nitro Fluorobenzene

15. Nitrofluorobenzene

16. Ortho Fluoro Nitrobenzene

17. 2fluoronitrobenzene

18. O-fluronitrobenzene

19. 2-fluoronitrobenzen

20. 1-fluoronitrobenzene

21. Disodiumterephthalate

22. Einecs 216-088-0

23. Nsc 51869

24. O-fluoro-nitrobenzene

25. O-fluoronitro-benzene

26. 1-fluoro-nitrobenzene

27. 2-fluoro Nitrobenzene

28. 2-fluoro-nitrobenzene

29. 2-nitro-fluorobenzene

30. Ortho-fluoronitrobenzene

31. 2-fluoro-nitro-benzene

32. 1-fluor-2-nitrobenzene

33. L-fluoro-2-nitrobenzene

34. 2-nitro-1-fluorobenzene

35. 1-flouro-2-nitrobenzene

36. 1-fluoro-2-nitro Benzene

37. 2-fluoro-1-nitro-benzene

38. Ec 216-088-0

39. Schembl5828

40. Chembl49252

41. Dtxsid1061730

42. Schembl16474073

43. 1-fluoro-2-nitrobenzene, 99%

44. Act07102

45. Nsc51869

46. Zinc1682934

47. Nsc-51869

48. Stl183282

49. Akos000120023

50. Cs-w008586

51. As-11953

52. Bp-20685

53. Db-019183

54. Am20030017

55. F0104

56. Ft-0612442

57. A808881

58. A856862

59. W-108088

60. Q63398793

61. F0001-0531

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₆H₄FNO₂
Molecular Weight	141.10 g/mol
XLogP3	1.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	141.02260653 g/mol
Monoisotopic Mass	141.02260653 g/mol
Topological Polar Surface Area	45.8 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	134
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