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    Technical details about CAS 119192-09-5, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 119192-09-5

    BUILDING BLOCK

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    2D Structure
    Also known as: 119192-09-5, 1-(4-nitrobenzyl)-1h-1,2,4-triazole, 1-[(4-nitrophenyl)methyl]-1,2,4-triazole, 1-(4-nitrophenyl)methyl-1,2,4-triazole, 1-(4-nitrobenzyl)-1,2,4-triazole, 1-(4-nitrobenzyl)-1h-[1,2,4]triazole
    Molecular Formula
    C9H8N4O2
    Molecular Weight
    204.19  g/mol
    InChI Key
    NVRYCUYVBBCXHT-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-[(4-nitrophenyl)methyl]-1,2,4-triazole
    2.1.2 InChI
    InChI=1S/C9H8N4O2/c14-13(15)9-3-1-8(2-4-9)5-12-7-10-6-11-12/h1-4,6-7H,5H2
    2.1.3 InChI Key
    NVRYCUYVBBCXHT-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=CC=C1CN2C=NC=N2)[N+](=O)[O-]
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 119192-09-5

    2. 1-(4-nitrobenzyl)-1h-1,2,4-triazole

    3. 1-[(4-nitrophenyl)methyl]-1,2,4-triazole

    4. 1-(4-nitrophenyl)methyl-1,2,4-triazole

    5. 1-(4-nitrobenzyl)-1,2,4-triazole

    6. 1-(4-nitrobenzyl)-1h-[1,2,4]triazole

    7. 1-(4-nitro-benzyl)-1h-[1,2,4]triazole

    8. Schembl994055

    9. Dtxsid60424309

    10. Bcp13639

    11. Zinc2513725

    12. Mfcd03840588

    13. Akos013123094

    14. Ab16465

    15. Ds-0452

    16. Ac-14378

    17. 1-(4-nitrophenyl) Methyl-1,2,4-triazole

    18. Cs-0316626

    19. Ft-0642913

    20. N1007

    21. 192n095

    22. A804217

    23. Ae-842/34026023

    24. 1h-1,2,4-triazole, 1-[(4-nitrophenyl)methyl]-

    25. J-503369

    2.3 Create Date
    2006-04-29
    3 Chemical and Physical Properties
    Molecular Weight 204.19 g/mol
    Molecular Formula C9H8N4O2
    XLogP30.7
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count2
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area76.5
    Heavy Atom Count15
    Formal Charge0
    Complexity223
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1