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    CAS 3381-48-4

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    CAS 3381-48-4
    Also known as: 3381-48-4, N-(4-fluorophenyl)-1-(4-methoxyphenyl)methanimine, Schembl2904627, Zinc96460, Dtxsid10351732, Stk070800
    Molecular Formula
    C14H12FNO
    Molecular Weight
    229.25  g/mol
    InChI Key
    ZICFPEHQRZAFBZ-UHFFFAOYSA-N
    1 2D Structure

    CAS 3381-48-4

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-(4-fluorophenyl)-1-(4-methoxyphenyl)methanimine
    2.1.2 InChI
    InChI=1S/C14H12FNO/c1-17-14-8-2-11(3-9-14)10-16-13-6-4-12(15)5-7-13/h2-10H,1H3
    2.1.3 InChI Key
    ZICFPEHQRZAFBZ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC1=CC=C(C=C1)C=NC2=CC=C(C=C2)F
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 3381-48-4

    2. N-(4-fluorophenyl)-1-(4-methoxyphenyl)methanimine

    3. Schembl2904627

    4. Zinc96460

    5. Dtxsid10351732

    6. Stk070800

    7. Akos000344077

    8. 4-fluorophenyl(4-methoxybenzylidene)-amine

    9. N-(4-methoxybenzylidene)-4-fluoroaniline, 97%

    10. J-019330

    11. 4-fluoro-n-[(e)-(4-methoxyphenyl)methylidene]aniline

    2.3 Create Date
    2005-07-08
    3 Chemical and Physical Properties
    Molecular Weight 229.25 g/mol
    Molecular Formula C14H12FNO
    XLogP33.3
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count3
    Exact Mass229.090292168 g/mol
    Monoisotopic Mass229.090292168 g/mol
    Topological Polar Surface Area21.6 Ų
    Heavy Atom Count17
    Formal Charge0
    Complexity241
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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      4-[[(4-Fluorophenyl)imino]methyl]-phenol

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            3-[(2R,5S)-5-(4-fluorophenyl)-2-{(S)-[4-fluorophenyl]Am...

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