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    Technical details about CAS 450-91-9, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 450-91-9

    BUILDING BLOCK

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    2D Structure
    Also known as: 450-91-9, 2-methoxy-4-fluoroaniline, 4-fluoro-o-anisidine, Benzenamine, 4-fluoro-2-methoxy-, 4-fluoro-2-methoxybenzenamine, Mfcd00077536
    Molecular Formula
    C7H8FNO
    Molecular Weight
    141.14  g/mol
    InChI Key
    BNRRMRUVYDETQC-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-fluoro-2-methoxyaniline
    2.1.2 InChI
    InChI=1S/C7H8FNO/c1-10-7-4-5(8)2-3-6(7)9/h2-4H,9H2,1H3
    2.1.3 InChI Key
    BNRRMRUVYDETQC-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC1=C(C=CC(=C1)F)N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 450-91-9

    2. 2-methoxy-4-fluoroaniline

    3. 4-fluoro-o-anisidine

    4. Benzenamine, 4-fluoro-2-methoxy-

    5. 4-fluoro-2-methoxybenzenamine

    6. Mfcd00077536

    7. 4-fluoro-2-methoxy-aniline

    8. 4-fluoro-2-methoxyphenylamine

    9. Schembl455982

    10. 2-amino-5-fluoroanisole[4-fluoro-2-methoxyaniline]

    11. 4-fluoro-2-(methyloxy)aniline

    12. 4-fluoro-2-methoxy-phenylamine

    13. (4-fluoro-2-methoxyphenyl)amine

    14. Dtxsid70543136

    15. Act00116

    16. Bcp11916

    17. Cs-b0927

    18. Zinc16159540

    19. Akos000149628

    20. Ccg-325856

    21. Gs-4323

    22. Mb00562

    23. Ac-28647

    24. Sy026829

    25. Db-070625

    26. Am20050535

    27. F1003

    28. Ft-0647125

    29. En300-31570

    30. J-515338

    31. Z1262396038

    2.3 Create Date
    2007-02-08
    3 Chemical and Physical Properties
    Molecular Weight 141.14 g/mol
    Molecular Formula C7H8FNO
    XLogP31.3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count1
    Exact Mass141.058992041 g/mol
    Monoisotopic Mass141.058992041 g/mol
    Topological Polar Surface Area35.2 Ų
    Heavy Atom Count10
    Formal Charge0
    Complexity110
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1