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  • 4,7-Bis(5-bromothiophen-2-yl)-5,6-bis(n-octyloxy)-2,1,3-benzothiadiazole

  • 4,7-Bis(5-bromothiophen-2-yl)-5,6-bis(n-octyloxy)-2,1,3-benzothiadiazole

    Catalog Number
    ACM1192352105
    Product Name
    4,7-Bis(5-bromothiophen-2-yl)-5,6-bis(n-octyloxy)-2,1,3-benzothiadiazole
    Structure
    CAS
    1192352-10-5
    Category
    Polymers
    IUPAC Name
    4,7-bis(5-bromothiophen-2-yl)-5,6-dioctoxy-2,1,3-benzothiadiazole
    Molecular Weight
    714.63
    Molecular Formula
    C30H38Br2N2O2S3
    Canonical SMILES
    CCCCCCCCOC1=C(C2=NSN=C2C(=C1OCCCCCCCC)C3=CC=C(S3)Br)C4=CC=C(S4)Br
    InChI
    InChI=1S/C30H38Br2N2O2S3/c1-3-5-7-9-11-13-19-35-29-25(21-15-17-23(31)37-21)27-28(34-39-33-27)26(22-16-18-24(32)38-22)30(29)36-20-14-12-10-8-6-4-2/h15-18H,3-14,19-20H2,1-2H3
    InChI Key
    QNBPEQCRDXBBCR-UHFFFAOYSA-N
    Melting Point
    74 °C
    Purity
    >98.0%(HPLC)
    Appearance
    Light yellow to Brown powder to crystal
    Complexity
    630
    Covalently-Bonded Unit Count
    1
    Exact Mass
    714.04417g/mol
    Formal Charge
    0
    Heavy Atom Count
    39
    MDL Number
    MFCD26743666
    Monoisotopic Mass
    712.04622g/mol
    Rotatable Bond Count
    18
    XLogP3
    13.3
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