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    CAS 830346-47-9

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    CAS 830346-47-9
    Also known as: 830346-47-9, 1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methylpyrimidine-2,4-dione, 1-[2-fluoro-6-(trifluoromethyl)benzyl]-6-methylpyrimidine-2,4(1h,3h)-dione, T74u83wsc9, 1-(2-fluoro-6-trifluoromethyl-benzyl)-6-methyl-1h-pyrimidine-2,4-dione, Mfcd12546645
    Molecular Formula
    C13H10F4N2O2
    Molecular Weight
    302.22  g/mol
    InChI Key
    IJRKKZXPXBTHER-UHFFFAOYSA-N
    FDA UNII
    T74U83WSC9
    1 2D Structure

    CAS 830346-47-9

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methylpyrimidine-2,4-dione
    2.1.2 InChI
    InChI=1S/C13H10F4N2O2/c1-7-5-11(20)18-12(21)19(7)6-8-9(13(15,16)17)3-2-4-10(8)14/h2-5H,6H2,1H3,(H,18,20,21)
    2.1.3 InChI Key
    IJRKKZXPXBTHER-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=CC(=O)NC(=O)N1CC2=C(C=CC=C2F)C(F)(F)F
    2.2 Other Identifiers
    2.2.1 UNII
    T74U83WSC9
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 830346-47-9

    2. 1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methylpyrimidine-2,4-dione

    3. 1-[2-fluoro-6-(trifluoromethyl)benzyl]-6-methylpyrimidine-2,4(1h,3h)-dione

    4. T74u83wsc9

    5. 1-(2-fluoro-6-trifluoromethyl-benzyl)-6-methyl-1h-pyrimidine-2,4-dione

    6. Mfcd12546645

    7. 1-{[2-fluoro-6-(trifluoromethyl)phenyl]methyl}-6-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

    8. 1-((2-fluoro-6-(trifluoromethyl)phenyl)methyl)-6-methyl-2,4(1h,3h)-pyrimidinedione

    9. 1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-2,4(1h,3h)-pyrimidinedione

    10. 2,4(1h,3h)-pyrimidinedione, 1-((2-fluoro-6-(trifluoromethyl)phenyl)methyl)-6-methyl-

    11. 2,4(1h,3h)-pyrimidinedione, 1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-

    12. Unii-t74u83wsc9

    13. Schembl1641839

    14. Dtxsid90621905

    15. Zinc35973430

    16. Akos015995198

    17. Ds-7163

    18. Sb18003

    19. Ac-31335

    20. Sy060979

    21. Cs-0161967

    22. A901206

    23. 1-(2-fluoro-6-trifluoromethyl-benzyl)-6-methyl-1h- Pyrimidine-2,4-dione

    24. 1-(2-fluoro-6-trifluoromethylbenzyl)-6-methyl-1h-pyrimidine-2,4-dione

    25. 1-[2-fluoro-6-(trifluoromethyl)benzyl]-6-methylprimidine-2,4(1h,3h)-dione

    26. 1-{[2-fluoro-6-(trifluoromethyl)phenyl]methyl}-6-methylpyrimidine-2,4(1h,3h)-dione

    2.4 Create Date
    2007-12-05
    3 Chemical and Physical Properties
    Molecular Weight 302.22 g/mol
    Molecular Formula C13H10F4N2O2
    XLogP32.1
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count2
    Exact Mass302.06784021 g/mol
    Monoisotopic Mass302.06784021 g/mol
    Topological Polar Surface Area49.4 Ų
    Heavy Atom Count21
    Formal Charge0
    Complexity475
    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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    Aarti Pharmalab, earlier the pharma division of Aarti Industries, is a leading Indian manufacturer of API...
    Aarti Pharmalab, earlier the pharma division of Aarti Industries, is a leading Indian manufacturer of APIs. It has dedicated facilities to manufacture HPAPIs, corticosteroids, cytotoxic & oncology products. It has 2 R&D centers & 3 cGMP plants successfully audited by the USFDA, EUGMP, EDQM, KFDA & COFEPRIS. It also offers CDMO services for generic APIs & NCEs, intermediates & key building blocks.

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    Jinan Tantu Chemicals

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      Jinan Tantu Chemicals Co., Ltd. operates as a Contract Development and Manufacturing Organization (CDMO) ...
      Jinan Tantu Chemicals Co., Ltd. operates as a Contract Development and Manufacturing Organization (CDMO) that serves pharmaceutical companies worldwide. Our core services include customized R&D as well as the production of small molecule pharmaceutical intermediates and Active Pharmaceutical Ingredients (APIs) for both international and domestic pharmaceutical firms. Our capabilities span from laboratory-scale kilograms to commercial ton-scale production. Additionally, we are committed to independent research and development, as well as the production and sales of high-end pharmaceutical intermediates and API products.
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      LinkChem

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        LinkChem is a leading China headquartered CMO | CRO provider within the pharmaceutical industry. Our core...
        LinkChem is a leading China headquartered CMO | CRO provider within the pharmaceutical industry. Our core focus includes: custom synthesis, process development, and manufacturing of key intermediates,API,amino acid and peptides. At LinkChem we support the virtually integrated pharma company with unparralled expertise throughout the entire product lifecycle. We collaborate with both Pharmaceutical and Generic companies from drug development to commercialization.
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