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    3,4-Difluoronitrobenzene

    ACTIVE PHARMA INGREDIENTS

    MARKET PLACE

    PharmaCompass
    $ API Ref.Price (USD/KG) : 27Xls

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    2D Structure
    Also known as: 369-34-6, 1,2-difluoro-4-nitrobenzene, Benzene, 1,2-difluoro-4-nitro-, 1,2-difluoro-4-nitro-benzene, 3,4-difluoro-1-nitrobenzene, 1-nitro-3,4-difluorobenzene
    Molecular Formula
    C6H3F2NO2
    Molecular Weight
    159.09  g/mol
    InChI Key
    RUBQQRMAWLSCCJ-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1,2-difluoro-4-nitrobenzene
    2.1.2 InChI
    InChI=1S/C6H3F2NO2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H
    2.1.3 InChI Key
    RUBQQRMAWLSCCJ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=C(C=C1[N+](=O)[O-])F)F
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 369-34-6

    2. 1,2-difluoro-4-nitrobenzene

    3. Benzene, 1,2-difluoro-4-nitro-

    4. 1,2-difluoro-4-nitro-benzene

    5. 3,4-difluoro-1-nitrobenzene

    6. 1-nitro-3,4-difluorobenzene

    7. Brn 1944996

    8. Einecs 206-718-2

    9. Mfcd00007198

    10. 3,4-difluoro Nitrobenzene

    11. 3,4-difluornitrobenzene

    12. 3.4-difluoronitrobenzene

    13. 3, 4-difluoronitrobenzene

    14. 3,4-difluoro-nitrobenzene

    15. 3,4- Difluoronitrobenzene

    16. 3, 4-difluoro Nitrobenzene

    17. 3,4-difluoro-nitro Benzene

    18. 3,4-difluoro-nitro-benzene

    19. Schembl85604

    20. 3,4-difluoro-1-nitro-benzene

    21. 3,4-difluoronitrobenzene, 99%

    22. Rubqqrmawlsccj-uhfffaoysa-

    23. Dtxsid00190379

    24. Zinc152925

    25. Act00754

    26. Akos005258669

    27. Akos015888122

    28. Cs-w016188

    29. Pb47436

    30. Ac-10117

    31. As-14509

    32. Db-006279

    33. A6350

    34. Am20040304

    35. D1926

    36. Ft-0601467

    37. En300-36083

    38. P16484

    39. W-106578

    2.3 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 159.09 g/mol
    Molecular Formula C6H3F2NO2
    XLogP32.1
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count0
    Exact Mass159.01318466 g/mol
    Monoisotopic Mass159.01318466 g/mol
    Topological Polar Surface Area45.8 Ų
    Heavy Atom Count11
    Formal Charge0
    Complexity159
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1