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  • 4,7-Dibromo-5,6-di-n-octyloxy-2,1,3-benzothiadiazole

  • 4,7-Dibromo-5,6-di-n-octyloxy-2,1,3-benzothiadiazole

    Catalog Number
    ACM1192352081-1
    CAS Number
    1192352-08-1
    Product Name
    4,7-Dibromo-5,6-di-n-octyloxy-2,1,3-benzothiadiazole
    Structure
    Category
    Polymers; Semiconductor Blocks
    IUPAC Name
    4,7-dibromo-5,6-dioctoxy-2,1,3-benzothiadiazole
    Molecular Weight
    550.39
    Molecular Formula
    C22H34Br2N2O2S
    Canonical SMILES
    CCCCCCCCOC1=C(C2=NSN=C2C(=C1OCCCCCCCC)Br)Br
    InChI
    InChI=1S/C22H34Br2N2O2S/c1-3-5-7-9-11-13-15-27-21-17(23)19-20(26-29-25-19)18(24)22(21)28-16-14-12-10-8-6-4-2/h3-16H2,1-2H3
    InChI Key
    VGCVJZVDAAWTFC-UHFFFAOYSA-N
    Melting Point
    45 °C
    Purity
    >98.0%(GC)
    Appearance
    White to Almost white powder to crystal
    Complexity
    386
    Covalently-Bonded Unit Count
    1
    Exact Mass
    550.06873g/mol
    Formal Charge
    0
    Heavy Atom Count
    29
    MDL Number
    MFCD19940667
    Monoisotopic Mass
    548.07077g/mol
    Rotatable Bond Count
    16
    XLogP3
    10
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