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  • 3,3'-Dichloro-4,4'-diisocyanatobiphenyl

  • 3,3'-Dichloro-4,4'-diisocyanatobiphenyl

    Catalog Number
    ACM5331873-2
    CAS Number
    5331-87-3
    Product Name
    3,3'-Dichloro-4,4'-diisocyanatobiphenyl
    Structure
    Category
    Monomers; Polymers
    IUPAC Name
    2-chloro-4-(3-chloro-4-isocyanatophenyl)-1-isocyanatobenzene
    Molecular Weight
    305.1g/mol
    Molecular Formula
    C14H6Cl2N2O2
    Canonical SMILES
    C1=CC(=C(C=C1C2=CC(=C(C=C2)N=C=O)Cl)Cl)N=C=O
    InChI
    InChI=1S/C14H6Cl2N2O2/c15-11-5-9(1-3-13(11)17-7-19)10-2-4-14(18-8-20)12(16)6-10/h1-6H
    InChI Key
    JITXMLLVGWGFGV-UHFFFAOYSA-N
    Complexity
    393
    Covalently-Bonded Unit Count
    1
    Exact Mass
    303.980633g/mol
    Formal Charge
    0
    Heavy Atom Count
    20
    Monoisotopic Mass
    303.980633g/mol
    NSC Number
    2338
    Rotatable Bond Count
    3
    XLogP3
    6.4
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