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  • 4,7-Bis(5-bromo-2-thienyl)-5,6-bis(dodecyloxy)-2,1,3-benzothiadiazole

  • 4,7-Bis(5-bromo-2-thienyl)-5,6-bis(dodecyloxy)-2,1,3-benzothiadiazole

    Catalog Number
    ACM1334686713
    CAS Number
    1334686-71-3
    Product Name
    4,7-Bis(5-bromo-2-thienyl)-5,6-bis(dodecyloxy)-2,1,3-benzothiadiazole
    Category
    Self-Assembly Materials
    IUPAC Name
    4,7-bis(5-bromothiophen-2-yl)-5,6-didodecoxy-2,1,3-benzothiadiazole
    Molecular Weight
    826.9g/mol
    Molecular Formula
    C38H54Br2N2O2S3
    Canonical SMILES
    CCCCCCCCCCCCOC1=C(C2=NSN=C2C(=C1OCCCCCCCCCCCC)C3=CC=C(S3)Br)C4=CC=C(S4)Br
    InChI
    InChI=1S/C38H54Br2N2O2S3/c1-3-5-7-9-11-13-15-17-19-21-27-43-37-33(29-23-25-31(39)45-29)35-36(42-47-41-35)34(30-24-26-32(40)46-30)38(37)44-28-22-20-18-16-14-12-10-8-6-4-2/h23-26H,3-22,27-28H2,1-2H3
    InChI Key
    MMCQXCRWMJXWLQ-UHFFFAOYSA-N
    Complexity
    742
    Covalently-Bonded Unit Count
    1
    Exact Mass
    826.16937g/mol
    Formal Charge
    0
    Heavy Atom Count
    47
    Monoisotopic Mass
    824.17142g/mol
    Rotatable Bond Count
    26
    XLogP3
    17.6
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