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    CAS 403-24-7

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 403-24-7, 2-fluoro-4-nitrobenzenecarboxylic acid, 2-fluoro-4-nitrobenzoicacid, 2-fluoro-4-nitro-benzoic acid, Benzoic acid, 2-fluoro-4-nitro-, Mfcd00275565
    Molecular Formula
    C7H4FNO4
    Molecular Weight
    185.11  g/mol
    InChI Key
    MMWFMFZFCKADEL-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-fluoro-4-nitrobenzoic acid
    2.1.2 InChI
    InChI=1S/C7H4FNO4/c8-6-3-4(9(12)13)1-2-5(6)7(10)11/h1-3H,(H,10,11)
    2.1.3 InChI Key
    MMWFMFZFCKADEL-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=C(C=C1[N+](=O)[O-])F)C(=O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 403-24-7

    2. 2-fluoro-4-nitrobenzenecarboxylic Acid

    3. 2-fluoro-4-nitrobenzoicacid

    4. 2-fluoro-4-nitro-benzoic Acid

    5. Benzoic Acid, 2-fluoro-4-nitro-

    6. Mfcd00275565

    7. Nsc190361

    8. 2-fluoro4-nitrobenzoic Acid

    9. Schembl77925

    10. 2-fluor-4-nitro-benzoesaure

    11. 4-nitro-2-fluorobenzoic Acid

    12. 2 -fluoro-4-nitrobenzoic Acid

    13. Chembl4541220

    14. Schembl13981884

    15. Dtxsid40307207

    16. Act00333

    17. Bcp24608

    18. Cs-b1276

    19. Bbl101562

    20. Cl4104

    21. Stl555358

    22. Akos005071034

    23. Ac-3607

    24. Nsc 190361

    25. Nsc-190361

    26. Bp-12810

    27. Sy007322

    28. Db-016982

    29. A6750

    30. Am20060215

    31. F0797

    32. Ft-0612340

    33. En300-51142

    34. 7r-0042

    35. J-509428

    36. Z609263558

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 185.11 g/mol
    Molecular Formula C7H4FNO4
    XLogP31.5
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count1
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area83.1
    Heavy Atom Count13
    Formal Charge0
    Complexity227
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1