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    CAS 351-54-2

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 351-54-2, 3-fluoro-p-anisaldehyde, 3-fluoro-4-anisaldehyde, Benzaldehyde, 3-fluoro-4-methoxy-, 3-fluoro-4-methoxy-benzaldehyde, Mfcd00003349
    Molecular Formula
    C8H7FO2
    Molecular Weight
    154.14  g/mol
    InChI Key
    SOQCZBSZZLWDGU-UHFFFAOYSA-N
    FDA UNII
    K2CG7GUS9W
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-fluoro-4-methoxybenzaldehyde
    2.1.2 InChI
    InChI=1S/C8H7FO2/c1-11-8-3-2-6(5-10)4-7(8)9/h2-5H,1H3
    2.1.3 InChI Key
    SOQCZBSZZLWDGU-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC1=C(C=C(C=C1)C=O)F
    2.2 Other Identifiers
    2.2.1 UNII
    K2CG7GUS9W
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 351-54-2

    2. 3-fluoro-p-anisaldehyde

    3. 3-fluoro-4-anisaldehyde

    4. Benzaldehyde, 3-fluoro-4-methoxy-

    5. 3-fluoro-4-methoxy-benzaldehyde

    6. Mfcd00003349

    7. K2cg7gus9w

    8. 3-fluoro-4-methoxy Benzaldehyde

    9. Einecs 206-514-3

    10. 3-fluoroanisaldehyde

    11. 3-fluoro-anisaldehyde

    12. Unii-k2cg7gus9w

    13. 3-fluoro-para-anisaldehyde

    14. P-anisaldehyde, 3-fluoro-

    15. 3-fluoro4-methoxybenzaldehyde

    16. Schembl435689

    17. 4-methoxy-3-fluorobenzaldehyde

    18. 3-fluoro-4-methoxybenz Aldehyde

    19. 3--fluoro-4-methoxybenzaldehyde

    20. Soqczbszzlwdgu-uhfffaoysa-

    21. Dtxsid20188596

    22. 3-fluoro-4-methoxybenzaldehyde #

    23. Act11857

    24. Zinc1847539

    25. Ck2105

    26. 3-fluoro-4-methoxybenzaldehyde, 99%

    27. Akos000260496

    28. Cs-w007614

    29. Ps-8885

    30. Upcmld0enat5395994:001

    31. Ac-14095

    32. Sy004508

    33. Db-028490

    34. A6176

    35. Am20060040

    36. F0480

    37. Ft-0615688

    38. 351f542

    39. J-512491

    2.4 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 154.14 g/mol
    Molecular Formula C8H7FO2
    XLogP31.4
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count2
    Exact Mass154.04300762 g/mol
    Monoisotopic Mass154.04300762 g/mol
    Topological Polar Surface Area26.3 Ų
    Heavy Atom Count11
    Formal Charge0
    Complexity138
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1