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    BUILDING BLOCK

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    Chemistry

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    Also known as: 1075705-01-9, 4-fluoro-5-nitro-o-anisidine, 4-fluoro-2-methoxy-5-nitro-aniline, Mfcd23098941, Schembl2924231, Dtxsid90726363
    Molecular Formula
    C7H7FN2O3
    Molecular Weight
    186.14  g/mol
    InChI Key
    FYSIGSQCZXQTIH-UHFFFAOYSA-N
    CAS 1075705-01-9
    1 2D Structure

    CAS 1075705-01-9

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-fluoro-2-methoxy-5-nitroaniline
    2.1.2 InChI
    InChI=1S/C7H7FN2O3/c1-13-7-2-4(8)6(10(11)12)3-5(7)9/h2-3H,9H2,1H3
    2.1.3 InChI Key
    FYSIGSQCZXQTIH-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC1=CC(=C(C=C1N)[N+](=O)[O-])F
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1075705-01-9

    2. 4-fluoro-5-nitro-o-anisidine

    3. 4-fluoro-2-methoxy-5-nitro-aniline

    4. Mfcd23098941

    5. Schembl2924231

    6. Dtxsid90726363

    7. 2-amino-5-fluoro-4-nitroanisole

    8. Bcp09961

    9. Cs-b0928

    10. Am9924

    11. Bbl102576

    12. Stl556379

    13. Zinc88246990

    14. Akos017343630

    15. Ds-7906

    16. Sb13171

    17. Ac-30106

    18. Sy060358

    19. F1246

    20. Ft-0777982

    21. A856934

    2.3 Create Date
    2012-08-08
    3 Chemical and Physical Properties
    Molecular Weight 186.14 g/mol
    Molecular Formula C7H7FN2O3
    XLogP31.1
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count1
    Exact Mass186.04407025 g/mol
    Monoisotopic Mass186.04407025 g/mol
    Topological Polar Surface Area81.1 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity197
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    BUILDING BLOCK

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