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    CAS 1427-07-2

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 1427-07-2, 2-fluoro-1-methyl-4-nitrobenzene, Benzene, 2-fluoro-1-methyl-4-nitro-, Toluene, 2-fluoro-4-nitro-, 3-fluoro-4-methylnitrobenzene, 1-methyl-2-fluoro-4-nitrobenzene
    Molecular Formula
    C7H6FNO2
    Molecular Weight
    155.13  g/mol
    InChI Key
    WIQISTBTOQNVCE-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-fluoro-1-methyl-4-nitrobenzene
    2.1.2 InChI
    InChI=1S/C7H6FNO2/c1-5-2-3-6(9(10)11)4-7(5)8/h2-4H,1H3
    2.1.3 InChI Key
    WIQISTBTOQNVCE-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=C(C=C(C=C1)[N+](=O)[O-])F
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1427-07-2

    2. 2-fluoro-1-methyl-4-nitrobenzene

    3. Benzene, 2-fluoro-1-methyl-4-nitro-

    4. Toluene, 2-fluoro-4-nitro-

    5. 3-fluoro-4-methylnitrobenzene

    6. 1-methyl-2-fluoro-4-nitrobenzene

    7. 2-fluoro-1-methyl-4-nitro-benzene

    8. Nsc60724

    9. Einecs 215-845-2

    10. 2-fluoro4-nitrotoluene

    11. 2fluoro 4nitro Toluene

    12. 2-fluor-4-nitro-toluol

    13. 2-fluoro-4-nitro Toluene

    14. 2- Fluoro-4-nitrotoluene

    15. Schembl171927

    16. 2-fluoro-5-nitrotrifluorotoluol

    17. 2-fluoro-4-nitrotoluene, 98%

    18. Wiqistbtoqnvce-uhfffaoysa-

    19. Dtxsid40162131

    20. Act13388

    21. Bcp24544

    22. Cl9288

    23. Mfcd00007199

    24. Nsc 60724

    25. Nsc-60724

    26. 2-fluoro-1-methyl-4-nitrobenzene #

    27. Akos005145652

    28. Ac-2486

    29. As-12011

    30. Db-023739

    31. A6694

    32. Am20060217

    33. Cs-0019446

    34. F0292

    35. Ft-0612342

    36. En300-64538

    37. A19638

    38. W-108174

    39. Z992934732

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 155.13 g/mol
    Molecular Formula C7H6FNO2
    XLogP32.7
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count0
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area45.8
    Heavy Atom Count11
    Formal Charge0
    Complexity157
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1