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  • Bis(4-nitrophenyl)sulfide

    Catalog Number
    ACM1223310
    CAS Number
    1223-31-0
    Product Name
    Bis(4-nitrophenyl)sulfide
    Structure
    Category
    Polymers
    IUPAC Name
    1-nitro-4-(4-nitrophenyl)sulfanylbenzene
    Molecular Weight
    276.27g/mol
    Molecular Formula
    C12H8N2O4S
    Canonical SMILES
    C1=CC(=CC=C1[N+](=O)[O-])SC2=CC=C(C=C2)[N+](=O)[O-]
    InChI
    InChI=1S/C12H8N2O4S/c15-13(16)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(17)18/h1-8H
    InChI Key
    ZZTJMQPRKBNGNX-UHFFFAOYSA-N
    Melting Point
    160.5 °C
    Purity
    >99.0%(GC)
    Complexity
    294
    Covalently-Bonded Unit Count
    1
    EC Number
    214-950-0
    Exact Mass
    276.020478g/mol
    Formal Charge
    0
    Heavy Atom Count
    19
    Monoisotopic Mass
    276.020478g/mol
    NSC Number
    629272;11350
    Rotatable Bond Count
    2
    XLogP3
    3.5
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