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  • 2,6-Dibromo-4-n-octyldithieno[3,2-b:2',3'-d]pyrrole

  • 2,6-Dibromo-4-n-octyldithieno[3,2-b:2',3'-d]pyrrole

    Catalog Number
    ACM1346688547
    CAS Number
    1346688-54-7
    Product Name
    2,6-Dibromo-4-n-octyldithieno[3,2-b:2',3'-d]pyrrole
    Category
    Polymers; Semiconductor Blocks
    IUPAC Name
    4,10-dibromo-7-octyl-3,11-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
    Molecular Weight
    449.3g/mol
    Molecular Formula
    C16H19Br2NS2
    Canonical SMILES
    CCCCCCCCN1C2=C(C3=C1C=C(S3)Br)SC(=C2)Br
    InChI
    InChI=1S/C16H19Br2NS2/c1-2-3-4-5-6-7-8-19-11-9-13(17)20-15(11)16-12(19)10-14(18)21-16/h9-10H,2-8H2,1H3
    InChI Key
    IJEKMGUFKKPWLT-UHFFFAOYSA-N
    Complexity
    320
    Covalently-Bonded Unit Count
    1
    Exact Mass
    448.93052g/mol
    Formal Charge
    0
    Heavy Atom Count
    21
    Monoisotopic Mass
    446.93257g/mol
    Rotatable Bond Count
    7
    XLogP3
    8.3
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