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    BUILDING BLOCK

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    Chemistry

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    Also known as: 1108745-30-7, 3-amino-5-(3,5-difluorobenzyl)-1h-indazole, 5-[(3,5-difluorophenyl)methyl]-1h-indazol-3-amine, Mfcd28129098, Schembl3510229, Bcp30824
    Molecular Formula
    C14H11F2N3
    Molecular Weight
    259.25  g/mol
    InChI Key
    CZQCRNRCCQSJHD-UHFFFAOYSA-N
    CAS 1108745-30-7
    1 2D Structure

    CAS 1108745-30-7

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-amine
    2.1.2 InChI
    InChI=1S/C14H11F2N3/c15-10-4-9(5-11(16)7-10)3-8-1-2-13-12(6-8)14(17)19-18-13/h1-2,4-7H,3H2,(H3,17,18,19)
    2.1.3 InChI Key
    CZQCRNRCCQSJHD-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC2=C(C=C1CC3=CC(=CC(=C3)F)F)C(=NN2)N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1108745-30-7

    2. 3-amino-5-(3,5-difluorobenzyl)-1h-indazole

    3. 5-[(3,5-difluorophenyl)methyl]-1h-indazol-3-amine

    4. Mfcd28129098

    5. Schembl3510229

    6. Bcp30824

    7. Akos030568350

    8. Zinc140715652

    9. Sb18040

    10. Ac-31287

    11. As-64916

    12. Da-38725

    13. Sy060686

    14. Cs-0056813

    15. Ft-0718818

    16. W16870

    17. 5-(3,5-difluoro-benzyl)-1h-indazol-3-ylamine

    18. A905927

    19. 5-(3,5-difluorobenzyl)-1h-indazol-3-amine;3-amino-5-(3,5-difluorobenzyl)-1h-indazole

    2.3 Create Date
    2009-08-03
    3 Chemical and Physical Properties
    Molecular Weight 259.25 g/mol
    Molecular Formula C14H11F2N3
    XLogP33.3
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count2
    Exact Mass259.09210369 g/mol
    Monoisotopic Mass259.09210369 g/mol
    Topological Polar Surface Area54.7 Ų
    Heavy Atom Count19
    Formal Charge0
    Complexity305
    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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