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    BUILDING BLOCK

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    Chemistry

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    Also known as: 916975-92-3, 4-methyl-1-[3-nitro-5-(trifluoromethyl)phenyl]-1h-imidazole, 1h-imidazole, 4-methyl-1-[3-nitro-5-(trifluoromethyl)phenyl]-, 4-methyl-1-[3-nitro-5-(trifluoromethyl)phenyl]imidazole, Ec 700-566-5, 4-methyl-1-(3-nitro-5-trifluoromethyl-phenyl)-1h-imidazole
    Molecular Formula
    C11H8F3N3O2
    Molecular Weight
    271.19  g/mol
    InChI Key
    JMLCVCGQBRZYOZ-UHFFFAOYSA-N
    FDA UNII
    BR76KC6BSK
    CAS 916975-92-3
    1 2D Structure

    CAS 916975-92-3

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-methyl-1-[3-nitro-5-(trifluoromethyl)phenyl]imidazole
    2.1.2 InChI
    InChI=1S/C11H8F3N3O2/c1-7-5-16(6-15-7)9-2-8(11(12,13)14)3-10(4-9)17(18)19/h2-6H,1H3
    2.1.3 InChI Key
    JMLCVCGQBRZYOZ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=CN(C=N1)C2=CC(=CC(=C2)C(F)(F)F)[N+](=O)[O-]
    2.2 Other Identifiers
    2.2.1 UNII
    BR76KC6BSK
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 916975-92-3

    2. 4-methyl-1-[3-nitro-5-(trifluoromethyl)phenyl]-1h-imidazole

    3. 1h-imidazole, 4-methyl-1-[3-nitro-5-(trifluoromethyl)phenyl]-

    4. 4-methyl-1-[3-nitro-5-(trifluoromethyl)phenyl]imidazole

    5. Ec 700-566-5

    6. 4-methyl-1-(3-nitro-5-trifluoromethyl-phenyl)-1h-imidazole

    7. Br76kc6bsk

    8. Schembl1505909

    9. Dtxsid80589949

    10. Amy22021

    11. Akos016013452

    12. 1h-imidazole, 4-methyl-1-[3-nitro-5-(trifluoromethyl)phenyl]

    2.4 Create Date
    2007-11-14
    3 Chemical and Physical Properties
    Molecular Weight 271.19 g/mol
    Molecular Formula C11H8F3N3O2
    XLogP32.8
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count1
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area63.6
    Heavy Atom Count19
    Formal Charge0
    Complexity345
    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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