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    1240948-77-9 manufacturers and suppliers on PharmaCompass

    Evonik

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    Fishfa Biogenics: Renowned Manufacturer, & Exporter of Tacrolimus & Mupirocin API.

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    xyz-pharma-m-2024-10-07

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    Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

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    Transo-Pharm GmbH works globally to supply Active Pharmaceutical Ingredients adhering to the highest quality & GMP standards.

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    xyz-pharma-m-2024-10-07

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    BUILDING BLOCK

    PharmaCompass

    Chemistry

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    Also known as: 1240948-77-9, Ec 809-912-0, 1h-pyrrole-3-carbonitrile, 5-(2-fluorophenyl)-, Schembl193719, Dtxsid101255372, Amy36876
    Molecular Formula
    C11H7FN2
    Molecular Weight
    186.18  g/mol
    InChI Key
    ZDEFHFJZEDEKJO-UHFFFAOYSA-N
    1240948-77-9
    1 2D Structure

    1240948-77-9

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-(2-fluorophenyl)-1H-pyrrole-3-carbonitrile
    2.1.2 InChI
    InChI=1S/C11H7FN2/c12-10-4-2-1-3-9(10)11-5-8(6-13)7-14-11/h1-5,7,14H
    2.1.3 InChI Key
    ZDEFHFJZEDEKJO-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC=C(C(=C1)C2=CC(=CN2)C#N)F
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1240948-77-9

    2. Ec 809-912-0

    3. 1h-pyrrole-3-carbonitrile, 5-(2-fluorophenyl)-

    4. Schembl193719

    5. Dtxsid101255372

    6. Amy36876

    7. Mfcd24619247

    8. Akos027254210

    9. Zinc113286624

    10. Sb62089

    11. 5-(2-fluorophenyl)pyrrole-3-carbonitrile

    12. Ds-10368

    13. Cs-0060470

    2.3 Create Date
    2010-10-11
    3 Chemical and Physical Properties
    Molecular Weight 186.18 g/mol
    Molecular Formula C11H7FN2
    XLogP32.2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count1
    Exact Mass186.05932639 g/mol
    Monoisotopic Mass186.05932639 g/mol
    Topological Polar Surface Area39.6 Ų
    Heavy Atom Count14
    Formal Charge0
    Complexity245
    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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