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  • 4,7-Bis(5-bromo-2-thienyl)-2-n-octyl-2H-benzotriazole

  • 4,7-Bis(5-bromo-2-thienyl)-2-n-octyl-2H-benzotriazole

    Catalog Number
    ACM1254062413
    Product Name
    4,7-Bis(5-bromo-2-thienyl)-2-n-octyl-2H-benzotriazole
    CAS
    1254062-41-3
    Category
    Polymers
    IUPAC Name
    4,7-bis(5-bromothiophen-2-yl)-2-octylbenzotriazole
    Molecular Weight
    553.38
    Molecular Formula
    C22H23Br2N3S2
    Canonical SMILES
    CCCCCCCCN1N=C2C(=CC=C(C2=N1)C3=CC=C(S3)Br)C4=CC=C(S4)Br
    InChI
    InChI=1S/C22H23Br2N3S2/c1-2-3-4-5-6-7-14-27-25-21-15(17-10-12-19(23)28-17)8-9-16(22(21)26-27)18-11-13-20(24)29-18/h8-13H,2-7,14H2,1H3
    InChI Key
    KPXJKVVGOPZOPK-UHFFFAOYSA-N
    Purity
    >90.0%(GC)
    Appearance
    Light yellow to Yellow to Orange powder to crystal
    Complexity
    478
    Covalently-Bonded Unit Count
    1
    Exact Mass
    552.96797g/mol
    Formal Charge
    0
    Heavy Atom Count
    29
    Monoisotopic Mass
    550.97002g/mol
    Rotatable Bond Count
    9
    XLogP3
    9.8
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