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    CAS 1493-27-2

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    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

    2D Structure

    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 Weight 141.10 g/mol
    Molecular Formula C6H4FNO2
    XLogP31.7
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count0
    Exact Mass141.02260653 g/mol
    Monoisotopic Mass141.02260653 g/mol
    Topological Polar Surface Area45.8 Ų
    Heavy Atom Count10
    Formal Charge0
    Complexity134
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1