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    BUILDING BLOCK

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    Chemistry

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    Also known as: 4-{5-chloro-2-[4-(trimethylsilyl)-1h-1,2,3-triazol-1-yl]phenyl}-6-methoxypyrimidine, Gjnsqupgexrqbe-uhfffaoysa-n, Sy345755, 1802430-53-0
    Molecular Formula
    C16H18ClN5OSi
    Molecular Weight
    359.88  g/mol
    InChI Key
    GJNSQUPGEXRQBE-UHFFFAOYSA-N
    CAS 1802430-53-0
    1 2D Structure

    CAS 1802430-53-0

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [1-[4-chloro-2-(6-methoxypyrimidin-4-yl)phenyl]triazol-4-yl]-trimethylsilane
    2.1.2 InChI
    InChI=1S/C16H18ClN5OSi/c1-23-15-8-13(18-10-19-15)12-7-11(17)5-6-14(12)22-9-16(20-21-22)24(2,3)4/h5-10H,1-4H3
    2.1.3 InChI Key
    GJNSQUPGEXRQBE-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC1=NC=NC(=C1)C2=C(C=CC(=C2)Cl)N3C=C(N=N3)[Si](C)(C)C
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 4-{5-chloro-2-[4-(trimethylsilyl)-1h-1,2,3-triazol-1-yl]phenyl}-6-methoxypyrimidine

    2. Gjnsqupgexrqbe-uhfffaoysa-n

    3. Sy345755

    4. 1802430-53-0

    2.3 Create Date
    2017-01-24
    3 Chemical and Physical Properties
    Molecular Weight 359.88 g/mol
    Molecular Formula C16H18ClN5OSi
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count4
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area65.7
    Heavy Atom Count24
    Formal Charge0
    Complexity424
    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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