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  • 2,6-Dibromo-4,4-bis(2-ethylhexyl)-4H-cyclopenta[2,1-b:3,4-b']dithiophene

  • 2,6-Dibromo-4,4-bis(2-ethylhexyl)-4H-cyclopenta[2,1-b:3,4-b']dithiophene

    Catalog Number
    ACM365547213
    CAS Number
    365547-21-3
    Product Name
    2,6-Dibromo-4,4-bis(2-ethylhexyl)-4H-cyclopenta[2,1-b:3,4-b']dithiophene
    Structure
    Category
    Organic Light-Emitting Diode (OLED) Materials; Polymers; Semiconductor Blocks
    IUPAC Name
    4,10-dibromo-7,7-bis(2-ethylhexyl)-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
    Molecular Weight
    560.5g/mol
    Molecular Formula
    C25H36Br2S2
    Canonical SMILES
    CCCCC(CC)CC1(C2=C(C3=C1C=C(S3)Br)SC(=C2)Br)CC(CC)CCCC
    InChI
    InChI=1S/C25H36Br2S2/c1-5-9-11-17(7-3)15-25(16-18(8-4)12-10-6-2)19-13-21(26)28-23(19)24-20(25)14-22(27)29-24/h13-14,17-18H,5-12,15-16H2,1-4H3
    InChI Key
    NEQRAFHWWLGKEJ-UHFFFAOYSA-N
    Density
    1.297
    Complexity
    455
    Covalently-Bonded Unit Count
    1
    Exact Mass
    560.06047g/mol
    Formal Charge
    0
    Heavy Atom Count
    29
    Monoisotopic Mass
    558.06252g/mol
    Rotatable Bond Count
    12
    XLogP3
    12.9
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