loader
Please Wait
Applying Filters...

Renejix CDMO Partner for Small Molecule Oral Dosage Forms Renejix CDMO Partner for Small Molecule Oral Dosage Forms

X
menu

    Market Place

    Market Place

    Post Enquiry

    Post Enquiry
    menu

    Technical details about CAS 28314-80-9, learn more about the structure, uses, toxicity, action, side effects and more

    Client Email Product
    Menu

    CAS 28314-80-9

    Manufacturers/Suppliers

    MARKET PLACE

    PharmaCompass

    Biophore is a research-driven global pharmaceutical company focused on niche APIs for the generic industry.

    Athena Pharmaceutiques is a Partner of Choice for Drug Delivery & Life Cycle Management.

    2D Structure
    1. Also known as: 28314-80-9, Benzoic acid, 2,4,6-trifluoro-, 2,4,6-trifluorobenzoicacid, Mfcd00042398, 2,4,6-trifluorobenzoic acid the derivatives, 2,4,6-trifluorobenzioc acid
    Molecular Formula
    C7H3F3O2
    Molecular Weight
    176.09  g/mol
    InChI Key
    SJZATRRXUILGHH-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2,4,6-trifluorobenzoic acid
    2.1.2 InChI
    InChI=1S/C7H3F3O2/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2H,(H,11,12)
    2.1.3 InChI Key
    SJZATRRXUILGHH-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=C(C=C(C(=C1F)C(=O)O)F)F
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 28314-80-9

    2. Benzoic Acid, 2,4,6-trifluoro-

    3. 2,4,6-trifluorobenzoicacid

    4. Mfcd00042398

    5. 2,4,6-trifluorobenzoic Acid The Derivatives

    6. 2,4,6-trifluorobenzioc Acid

    7. C7h3f3o2

    8. 2.4.6-trifluorbenzoesaeure

    9. Schembl288979

    10. 2,4,6-triflluorobenzoic Acid

    11. 2,4,6-trifluoro-benzoic Acid

    12. Dtxsid50334327

    13. 2,4,6-f3c6h2cooh

    14. Zinc389658

    15. Act12079

    16. 2,4,6-trifluorobenzoic Acid, 98%

    17. Akos000152490

    18. Ac-4009

    19. Benzoic Acid,2,4,6-trifluoro

    20. Cs-w002210

    21. Wt82278

    22. Cs-11287

    23. Mesoxalicacidmonohydratedisodiumsalt

    24. Sy014352

    25. Db-030782

    26. Am20040089

    27. Ft-0609862

    28. T2409

    29. En300-67167

    30. J-507075

    31. 2,3-dihydroxy Naphthalene-6-sodium Sulfonate(dihydroxy R Salt)

    2.3 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 176.09 g/mol
    Molecular Formula C7H3F3O2
    XLogP31.7
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count1
    Exact Mass176.00851382 g/mol
    Monoisotopic Mass176.00851382 g/mol
    Topological Polar Surface Area37.3 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity174
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    Post Enquiry
    POST ENQUIRY