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    CAS 1294512-27-8

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    CAS 1294512-27-8
    Also known as: 1294512-27-8, 3-(1,1-difluoroprop-2-enyl)-1h-quinoxalin-2-one, 3-(1,1-difluoroallyl)quinoxalin-2(1h)-one, Starbld0046870, Schembl789407, Bcp26133
    Molecular Formula
    C11H8F2N2O
    Molecular Weight
    222.19  g/mol
    InChI Key
    BTWDORUWKSZROD-UHFFFAOYSA-N
    1 2D Structure

    CAS 1294512-27-8

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-(1,1-difluoroprop-2-enyl)-1H-quinoxalin-2-one
    2.1.2 InChI
    InChI=1S/C11H8F2N2O/c1-2-11(12,13)9-10(16)15-8-6-4-3-5-7(8)14-9/h2-6H,1H2,(H,15,16)
    2.1.3 InChI Key
    BTWDORUWKSZROD-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C=CC(C1=NC2=CC=CC=C2NC1=O)(F)F
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1294512-27-8

    2. 3-(1,1-difluoroprop-2-enyl)-1h-quinoxalin-2-one

    3. 3-(1,1-difluoroallyl)quinoxalin-2(1h)-one

    4. Starbld0046870

    5. Schembl789407

    6. Bcp26133

    7. Zinc114596295

    8. 3-(1,1-difluoroallyl)quinoxalin-2-ol;3-(1,1-difluoro-2-propen-1-yl)-2(1h)-quinoxalinone

    2.3 Create Date
    2012-08-19
    3 Chemical and Physical Properties
    Molecular Weight 222.19 g/mol
    Molecular Formula C11H8F2N2O
    XLogP32.2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count2
    Exact Mass222.06046921 g/mol
    Monoisotopic Mass222.06046921 g/mol
    Topological Polar Surface Area41.5 Ų
    Heavy Atom Count16
    Formal Charge0
    Complexity352
    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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      Voxilaprevir
      Established in August 2011, Raffles PharmaTech is a high-tech enterprise that focus on development, manuf...
      Established in August 2011, Raffles PharmaTech is a high-tech enterprise that focus on development, manufacturing and sales of high-value added active pharmaceutical ingredients and intermediates. We are specialized in applying organic catalysts into the process development to lower cost, and to provide cost-effective product and service to customers. With our strong R&D capability and our proprietary organic catalysts, we provide low cost and high quality active pharmaceutical ingredients and intermediates to pharmaceutical companies. We also provide world standard process development, custom synthesis and manufacturing service.
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        Established in August 2011, Raffles PharmaTech is a high-tech enterprise that focus on development, manuf...
        Established in August 2011, Raffles PharmaTech is a high-tech enterprise that focus on development, manufacturing and sales of high-value added active pharmaceutical ingredients and intermediates. We are specialized in applying organic catalysts into the process development to lower cost, and to provide cost-effective product and service to customers. With our strong R&D capability and our proprietary organic catalysts, we provide low cost and high quality active pharmaceutical ingredients and intermediates to pharmaceutical companies. We also provide world standard process development, custom synthesis and manufacturing service.
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          Established in August 2011, Raffles PharmaTech is a high-tech enterprise that focus on development, manufacturing and sales of high-value added active pharmaceutical ingredients and intermediates. We are specialized in applying organic catalysts into the process development to lower cost, and to provide cost-effective product and service to customers. With our strong R&D capability and our proprietary organic catalysts, we provide low cost and high quality active pharmaceutical ingredients and intermediates to pharmaceutical companies. We also provide world standard process development, custom synthesis and manufacturing service.
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            Simeprevir
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            Established in August 2011, Raffles PharmaTech is a high-tech enterprise that focus on development, manufacturing and sales of high-value added active pharmaceutical ingredients and intermediates. We are specialized in applying organic catalysts into the process development to lower cost, and to provide cost-effective product and service to customers. With our strong R&D capability and our proprietary organic catalysts, we provide low cost and high quality active pharmaceutical ingredients and intermediates to pharmaceutical companies. We also provide world standard process development, custom synthesis and manufacturing service.
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              Glecaprevir
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              Established in August 2011, Raffles PharmaTech is a high-tech enterprise that focus on development, manufacturing and sales of high-value added active pharmaceutical ingredients and intermediates. We are specialized in applying organic catalysts into the process development to lower cost, and to provide cost-effective product and service to customers. With our strong R&D capability and our proprietary organic catalysts, we provide low cost and high quality active pharmaceutical ingredients and intermediates to pharmaceutical companies. We also provide world standard process development, custom synthesis and manufacturing service.
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