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    Granules India Limited has high volume world-class facilities for APIs, PFIs, & FDFs, serving customers in over 80 countries.

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    Egis is a Hungarian generic pharma company with 110 years history. Our activities incorporate all areas of the pharma value chain.

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    BUILDING BLOCK

    PharmaCompass

    Chemistry

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    Also known as:
    Molecular Formula
    C13H10FNO
    Molecular Weight
    215.22  g/mol
    InChI Key
    QVDWVRKNMDWNRU-UHFFFAOYSA-N
    CAS 3382-63-6
    1 2D Structure

    CAS 3382-63-6

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-[(4-fluoroanilino)methylidene]cyclohexa-2,5-dien-1-one
    2.1.2 InChI
    InChI=1S/C13H10FNO/c14-11-3-5-12(6-4-11)15-9-10-1-7-13(16)8-2-10/h1-9,15H
    2.1.3 InChI Key
    QVDWVRKNMDWNRU-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=O)C=CC1=CNC2=CC=C(C=C2)F
    2.1.5 Isomeric SMILES
    C1=CC(=O)C=CC1=CNC2=CC=C(C=C2)F
    2.2 Create Date
    2005-07-08
    3 Chemical and Physical Properties
    Molecular Weight 215.22 g/mol
    Molecular Formula C13H10FNO
    XLogP32.5
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count2
    Exact Mass215.074642105 g/mol
    Monoisotopic Mass215.074642105 g/mol
    Topological Polar Surface Area29.1 A^2
    Heavy Atom Count16
    Formal Charge0
    Complexity331
    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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