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    CAS 350-46-9

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 4-fluoronitrobenzene, 350-46-9, P-fluoronitrobenzene, P-nitrofluorobenzene, 4-nitrofluorobenzene, Benzene, 1-fluoro-4-nitro-
    Molecular Formula
    C6H4FNO2
    Molecular Weight
    141.10  g/mol
    InChI Key
    WFQDTOYDVUWQMS-UHFFFAOYSA-N
    FDA UNII
    A2M2FH7XHH
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-fluoro-4-nitrobenzene
    2.1.2 InChI
    InChI=1S/C6H4FNO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H
    2.1.3 InChI Key
    WFQDTOYDVUWQMS-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=CC=C1[N+](=O)[O-])F
    2.2 Other Identifiers
    2.2.1 UNII
    A2M2FH7XHH
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 1-fluoro-2-nitrobenzene

    2. 2-fluoronitrobenzene

    3. O-fluoronitrobenzene

    4. P-fluoronitrobenzene

    2.3.2 Depositor-Supplied Synonyms

    1. 4-fluoronitrobenzene

    2. 350-46-9

    3. P-fluoronitrobenzene

    4. P-nitrofluorobenzene

    5. 4-nitrofluorobenzene

    6. Benzene, 1-fluoro-4-nitro-

    7. 4-fluoro-1-nitrobenzene

    8. 1-nitro-4-fluorobenzene

    9. 178603-76-4

    10. 1-fluoro-4-nitro-benzene

    11. Nsc 10281

    12. P-fluoro Nitrobenzene

    13. Para-fluoronitrobenzene

    14. 1,4-fluoronitrobenzene

    15. 4-nitro-1-fluorobenzene

    16. A2m2fh7xhh

    17. Nsc-10281

    18. Benzene, 1-fluoro-4-nitro-, Labeled With Carbon-14 (9ci)

    19. P-fluoro Nitrobenzone

    20. Hsdb 2735

    21. Einecs 206-502-8

    22. Unii-a2m2fh7xhh

    23. 4fluoronitrobenzene

    24. 4-fluornitrobenzene

    25. 4-fluronitrobenzene

    26. 4-flouronitrobenzene

    27. Parafluoronitrobenzene

    28. Mfcd00007282

    29. 4-nitrophenylfluoride

    30. P-fluoro-nitrobenzene

    31. P-fluoronitro Benzene

    32. 4-fluro-nitrobenzene

    33. 4-fluoro Nitrobenzene

    34. 4-fluoro-nitrobenzene

    35. 4-fluoronitro Benzene

    36. 4-fluoronitro-benzene

    37. 4-nitro-fluorobenzene

    38. Fluoro-4-nitrobenzene

    39. P-fluoro -nitrobenzene

    40. 1-fluoro4-nitrobenzene

    41. 4-(fluoro)nitrobenzene

    42. 4-fluoro Nitro Benzene

    43. 4-fluoro-nitro-benzene

    44. 4-fluoro1-nitrobenzene

    45. 4-fluoro-l-nitrobenzene

    46. 4-fluro-1-nitrobenzene

    47. L-fluoro-4-nitrobenzene

    48. 1-fiuoro-4-nitrobenzene

    49. 1-fluoro-4nitro-benzene

    50. Wln: Wnr Df

    51. Schembl536

    52. 1 -fluoro-4-nitrobenzene

    53. 1-fluoro-4-nitro Benzene

    54. 4-fluoro-1-nitro-benzene

    55. Ec 206-502-8

    56. 4-nitrophenyl Fluoride

    57. Para Fluoro Nitrobenzene

    58. Chembl163729

    59. Dtxsid9022025

    60. Schembl16591626

    61. 1-fluoro-4-nitrobenzene, 99%

    62. Act07085

    63. Nsc10281

    64. Zinc1706157

    65. Bbl027638

    66. Stk399779

    67. Akos005207030

    68. Akos025395644

    69. Cs-w008789

    70. Pb47744

    71. 1-nitro-4-fluorobenzene [hsdb]

    72. As-11956

    73. Db-003484

    74. Db-103230

    75. A6148

    76. Am20040254

    77. F0105

    78. Ft-0618544

    79. En300-19364

    80. 1-fluoro-4-nitrobenzene, Purum, >=98.0% (gc)

    81. W-200549

    82. Q27273534

    83. F0001-1015

    84. Benzene,1-fluoro-4-nitro-, Labeled With Carbon-14 (9ci)

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 141.10 g/mol
    Molecular Formula C6H4FNO2
    XLogP31.8
    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
    Complexity126
    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

    YIELDS N-ACETYL-S-(P-NITROPHENYL)-L-CYSTEINE, P-FLUOROANILINE & P-NITROPHENOL IN RABBITS: BRAY & JAMES, BIOCHEM J 66: 45 (1957); BRAY ET AL, BIOCHEM J 68: 561 (1958). /FROM TABLE/

    Goodwin, B.L. Handbook of Intermediary Metabolism of Aromatic Compounds. New York: Wiley, 1976., p. F-7