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  • 4,7-Bis(5-bromo-4-n-octyl-2-thienyl)-2,1,3-benzothiadiazole

  • 4,7-Bis(5-bromo-4-n-octyl-2-thienyl)-2,1,3-benzothiadiazole

    Catalog Number
    ACM457931236
    CAS Number
    457931-23-6
    Product Name
    4,7-Bis(5-bromo-4-n-octyl-2-thienyl)-2,1,3-benzothiadiazole
    Category
    Polymers; Semiconductor Blocks
    IUPAC Name
    4,7-bis(5-bromo-4-octylthiophen-2-yl)-2,1,3-benzothiadiazole
    Molecular Weight
    682.64
    Molecular Formula
    C30H38Br2N2S3
    Canonical SMILES
    CCCCCCCCC1=C(SC(=C1)C2=CC=C(C3=NSN=C23)C4=CC(=C(S4)Br)CCCCCCCC)Br
    InChI
    InChI=1S/C30H38Br2N2S3/c1-3-5-7-9-11-13-15-21-19-25(35-29(21)31)23-17-18-24(28-27(23)33-37-34-28)26-20-22(30(32)36-26)16-14-12-10-8-6-4-2/h17-20H,3-16H2,1-2H3
    InChI Key
    AMYLTENEOQNKGO-UHFFFAOYSA-N
    Purity
    >97.0%(HPLC)
    Appearance
    Light yellow to Amber to Dark green powder to crystal
    Complexity
    592
    Covalently-Bonded Unit Count
    1
    Exact Mass
    682.05434g/mol
    Formal Charge
    0
    Heavy Atom Count
    37
    Monoisotopic Mass
    680.05639g/mol
    Rotatable Bond Count
    16
    XLogP3
    14.6
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