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  • 4,8-Bis(3,5-dioctyl-2-thienyl)-2,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[1,2-b:4,5-b']dithiophene

  • 4,8-Bis(3,5-dioctyl-2-thienyl)-2,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[1,2-b:4,5-b']dithiophene

    Catalog Number
    ACM1221254052
    CAS Number
    1221254-05-2
    Product Name
    4,8-Bis(3,5-dioctyl-2-thienyl)-2,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[1,2-b:4,5-b']dithiophene
    Structure
    Category
    Synthetic Tools and Reagents
    Synonyms
    2,2'-(4,8-Bis(3,5-dioctylthiophen-2-yl)benzo[1,2-b:4,5-b']dithiophene-2,6-diyl)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)
    IUPAC Name
    2-[4,8-bis(3,5-dioctylthiophen-2-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[2,3-f][1]benzothiol-6-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
    Molecular Weight
    1055.31
    Molecular Formula
    C62H96B2O4S4
    Canonical SMILES
    CC(C(C)(C)O1)(C)OB1C(S2)=CC3=C2C(C4=C(CCCCCCCC)C=C(CCCCCCCC)S4)=C(C=C(B5OC(C)(C)C(C)(C)O5)S6)C6=C3C7=C(CCCCCCCC)C=C(CCCCCCCC)S7
    InChI
    InChI=1S/C62H96B2O4S4/c1-13-17-21-25-29-33-37-45-41-47(39-35-31-27-23-19-15-3)69-55(45)53-49-43-51(63-65-59(5,6)60(7,8)66-63)72-58(49)54(50-44-52(71-57(50)53)64-67-61(9,10)62(11,12)68-64)56-46(38-34-30-26-22-18-14-2)42-48(70-56)40-36-32-28-24-20-16-4/h41-44H,13-40H2,1-12H3
    InChI Key
    OYNKXAWHHLJVGD-UHFFFAOYSA-N
    Melting Point
    2-8°C
    Storage
    room temp
    Assay
    >98%
    Complexity
    1420
    Covalently-Bonded Unit Count
    1
    Exact Mass
    1054.637757g/mol
    Form
    solid
    Formal Charge
    0
    Heavy Atom Count
    72
    MDL Number
    MFCD27923041
    Monoisotopic Mass
    1054.637757g/mol
    Rotatable Bond Count
    32
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