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    Technical details about CAS 915416-45-4, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 915416-45-4

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    2D Structure
    1. Also known as: 915416-45-4, 3',4',5'-trifluoro-[1,1'-biphenyl]-2-amine, 3',4',5'-trifluorobiphenyl-2-amine, 3',4',5'-trifluorobiphenyl-2-ylamine, 3,4,5-trifluoro-2'-aminobiphenyl, [1,1'-biphenyl]-2-amine, 3',4',5'-trifluoro-
    Molecular Formula
    C12H8F3N
    Molecular Weight
    223.19  g/mol
    InChI Key
    FTIKVBVUYPQUBF-UHFFFAOYSA-N
    FDA UNII
    10XDA3W53S
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-(3,4,5-trifluorophenyl)aniline
    2.1.2 InChI
    InChI=1S/C12H8F3N/c13-9-5-7(6-10(14)12(9)15)8-3-1-2-4-11(8)16/h1-6H,16H2
    2.1.3 InChI Key
    FTIKVBVUYPQUBF-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC=C(C(=C1)C2=CC(=C(C(=C2)F)F)F)N
    2.2 Other Identifiers
    2.2.1 UNII
    10XDA3W53S
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 915416-45-4

    2. 3',4',5'-trifluoro-[1,1'-biphenyl]-2-amine

    3. 3',4',5'-trifluorobiphenyl-2-amine

    4. 3',4',5'-trifluorobiphenyl-2-ylamine

    5. 3,4,5-trifluoro-2'-aminobiphenyl

    6. [1,1'-biphenyl]-2-amine, 3',4',5'-trifluoro-

    7. 10xda3w53s

    8. 3',4',5'-trifluoro(1,1'-biphenyl)-2-amine

    9. (1,1'-biphenyl)-2-amine, 3',4',5'-trifluoro-

    10. 3',4',5'-trifluoro[1,1'-biphenyl]-2-amine

    11. Unii-10xda3w53s

    12. Schembl397483

    13. Schembl977502

    14. Dtxsid60658041

    15. Bcp11782

    16. Mfcd14603436

    17. Zinc40770693

    18. 3',4',5'-trifluoro-2-aminobiphenyl

    19. Akos010489403

    20. Sb79864

    21. Ds-18225

    22. Cs-0156689

    23. C77129

    24. 3',4',5'-trifluoro[1,1'-biphenyl]-2-yl-amine

    25. A851907

    26. Q27251166

    27. Z1318516286

    2.4 Create Date
    2009-11-09
    3 Chemical and Physical Properties
    Molecular Weight 223.19 g/mol
    Molecular Formula C12H8F3N
    XLogP33.1
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count1
    Exact Mass223.06088375 g/mol
    Monoisotopic Mass223.06088375 g/mol
    Topological Polar Surface Area26 Ų
    Heavy Atom Count16
    Formal Charge0
    Complexity224
    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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