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  • 1,2-Bis[2-methylbenzo[b]thiophen-3-yl]-3,3,4,4,5,5-hexafluoro-1-cyclopentene(mixture of isomers)

  • 1,2-Bis[2-methylbenzo[b]thiophen-3-yl]-3,3,4,4,5,5-hexafluoro-1-cyclopentene(mixture of isomers)

    Catalog Number
    ACM137814074-2
    CAS Number
    137814-07-4
    Product Name
    1,2-Bis[2-methylbenzo[b]thiophen-3-yl]-3,3,4,4,5,5-hexafluoro-1-cyclopentene(mixture of isomers)
    Structure
    Category
    Other Materials
    IUPAC Name
    3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-1-benzothiophen-3-yl)cyclopenten-1-yl]-2-methyl-1-benzothiophene
    Molecular Weight
    468.5g/mol
    Molecular Formula
    C23H14F6S2
    Canonical SMILES
    CC1=C(C2=CC=CC=C2S1)C3=C(C(C(C3(F)F)(F)F)(F)F)C4=C(SC5=CC=CC=C54)C
    InChI
    InChI=1S/C23H14F6S2/c1-11-17(13-7-3-5-9-15(13)30-11)19-20(22(26,27)23(28,29)21(19,24)25)18-12(2)31-16-10-6-4-8-14(16)18/h3-10H,1-2H3
    InChI Key
    CNLMHUFAXSWHFA-UHFFFAOYSA-N
    Complexity
    705
    Covalently-Bonded Unit Count
    1
    Exact Mass
    468.044112g/mol
    Formal Charge
    0
    Heavy Atom Count
    31
    Monoisotopic Mass
    468.044112g/mol
    Rotatable Bond Count
    2
    XLogP3
    7.6
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