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  • 4'-Nitrobenzo-15-crown 5-Ether

  • 4'-Nitrobenzo-15-crown 5-Ether

    Catalog Number
    ACM60835690-1
    Product Name
    4'-Nitrobenzo-15-crown 5-Ether
    Structure
    CAS
    60835-69-0
    Category
    Macrocycles
    IUPAC Name
    17-nitro-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene
    Molecular Weight
    313.3g/mol
    Molecular Formula
    C14H19NO7
    SMILES
    C1COCCOC2=C(C=C(C=C2)[N+](=O)[O-])OCCOCCO1
    InChI
    InChI=1S/C14H19NO7/c16-15(17)12-1-2-13-14(11-12)22-10-8-20-6-4-18-3-5-19-7-9-21-13/h1-2,11H,3-10H2
    InChIKey
    XIWRBQVYCZCEPG-UHFFFAOYSA-N
    NSC Number
    175879
    Status
    0
    Complexity
    323
    Formal Charge
    0
    Exact Mass
    313.116152g/mol
    Monoisotopic Mass
    313.116152g/mol
    XLogP3
    0.2
    Covalently-Bonded Unit Count
    1
    Heavy Atom Count
    22
    Rotatable Bond Count
    0
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