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  • 1,3-Bis(5-bromo-2-thienyl)-5,7-bis(2-ethylhexyl)-4H,8H-benzo[1,2-c:4,5-c']dithiophene-4,8-dione

  • 1,3-Bis(5-bromo-2-thienyl)-5,7-bis(2-ethylhexyl)-4H,8H-benzo[1,2-c:4,5-c']dithiophene-4,8-dione

    Catalog Number
    ACM1415929780
    CAS Number
    1415929-78-0
    Product Name
    1,3-Bis(5-bromo-2-thienyl)-5,7-bis(2-ethylhexyl)-4H,8H-benzo[1,2-c:4,5-c']dithiophene-4,8-dione
    Category
    Self-Assembly Materials
    IUPAC Name
    1,3-bis(5-bromothiophen-2-yl)-5,7-bis(2-ethylhexyl)thieno[3,4-f][2]benzothiole-4,8-dione
    Molecular Weight
    766.7g/mol
    Molecular Formula
    C34H38Br2O2S4
    Canonical SMILES
    CCCCC(CC)CC1=C2C(=C(S1)CC(CC)CCCC)C(=O)C3=C(SC(=C3C2=O)C4=CC=C(S4)Br)C5=CC=C(S5)Br
    InChI
    InChI=1S/C34H38Br2O2S4/c1-5-9-11-19(7-3)17-23-27-28(24(39-23)18-20(8-4)12-10-6-2)32(38)30-29(31(27)37)33(21-13-15-25(35)40-21)42-34(30)22-14-16-26(36)41-22/h13-16,19-20H,5-12,17-18H2,1-4H3
    InChI Key
    HETICFAGRUKZDA-UHFFFAOYSA-N
    Complexity
    852
    Covalently-Bonded Unit Count
    1
    Exact Mass
    766.01009g/mol
    Formal Charge
    0
    Heavy Atom Count
    42
    Monoisotopic Mass
    764.01214g/mol
    Rotatable Bond Count
    14
    XLogP3
    14.6
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