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  • 2,6-Dibromo-4,8-bis(n-octyloxy)benzo[1,2-b:4,5-b']dithiophene

  • 2,6-Dibromo-4,8-bis(n-octyloxy)benzo[1,2-b:4,5-b']dithiophene

    Catalog Number
    ACM1294515755
    CAS Number
    1294515-75-5
    Product Name
    2,6-Dibromo-4,8-bis(n-octyloxy)benzo[1,2-b:4,5-b']dithiophene
    Category
    Polymers; Semiconductor Blocks
    IUPAC Name
    2,6-dibromo-4,8-dioctoxythieno[2,3-f][1]benzothiole
    Molecular Weight
    604.5g/mol
    Molecular Formula
    C26H36Br2O2S2
    Canonical SMILES
    CCCCCCCCOC1=C2C=C(SC2=C(C3=C1SC(=C3)Br)OCCCCCCCC)Br
    InChI
    InChI=1S/C26H36Br2O2S2/c1-3-5-7-9-11-13-15-29-23-19-17-21(27)32-26(19)24(20-18-22(28)31-25(20)23)30-16-14-12-10-8-6-4-2/h17-18H,3-16H2,1-2H3
    InChI Key
    GXGDTYKIKNMZTM-UHFFFAOYSA-N
    Complexity
    468
    Covalently-Bonded Unit Count
    1
    Exact Mass
    604.0503g/mol
    Formal Charge
    0
    Heavy Atom Count
    32
    Monoisotopic Mass
    602.05235g/mol
    Rotatable Bond Count
    16
    XLogP3
    12.8
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