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

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

    Catalog Number
    ACM1179993726-1
    Product Name
    4,7-Bis(5-bromo-4-dodecyl-2-thienyl)-2,1,3-benzothiadiazole
    Structure
    CAS
    1179993-72-6
    Category
    Polymers
    IUPAC Name
    4,7-bis(5-bromo-4-dodecylthiophen-2-yl)-2,1,3-benzothiadiazole
    Molecular Weight
    794.85
    Molecular Formula
    C38H54Br2N2S3
    Canonical SMILES
    CCCCCCCCCCCCC1=C(SC(=C1)C2=CC=C(C3=NSN=C23)C4=CC(=C(S4)Br)CCCCCCCCCCCC)Br
    InChI
    InChI=1S/C38H54Br2N2S3/c1-3-5-7-9-11-13-15-17-19-21-23-29-27-33(43-37(29)39)31-25-26-32(36-35(31)41-45-42-36)34-28-30(38(40)44-34)24-22-20-18-16-14-12-10-8-6-4-2/h25-28H,3-24H2,1-2H3
    InChI Key
    ZFMZIVKXDPTWBS-UHFFFAOYSA-N
    Purity
    >98.0%(HPLC)
    Appearance
    Orange to Red powder to crystal
    Complexity
    703
    Covalently-Bonded Unit Count
    1
    Exact Mass
    794.17954g/mol
    Formal Charge
    0
    Heavy Atom Count
    45
    Monoisotopic Mass
    792.18159g/mol
    Rotatable Bond Count
    24
    XLogP3
    19
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