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  • 3-(Trifluoromethoxy)benzonitrile

    • 3-(Trifluoromethoxy)benzonitrile

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    Catalog Number
    ACM52771229-1
    Product Name
    3-(Trifluoromethoxy)benzonitrile
    Structure
    CAS
    52771-22-9
    Category
    Oxides
    Synonyms
    3-Cyano-alpha,alpha,alpha-trifluoroanisole
    IUPAC Name
    3-(trifluoromethoxy)benzonitrile
    Molecular Weight
    187.12
    Molecular Formula
    C8H4F3NO
    Canonical SMILES
    C1=CC(=CC(=C1)OC(F)(F)F)C#N
    InChI
    InChI=1S/C8H4F3NO/c9-8(10,11)13-7-3-1-2-6(4-7)5-12/h1-4H
    InChI Key
    DCZAPXGEZYVQNX-UHFFFAOYSA-N
    Boiling Point
    101.5 °C
    Purity
    98%+
    Density
    1.31 g/ml
    Complexity
    217
    Covalently-Bonded Unit Count
    1
    Exact Mass
    187.024498g/mol
    Formal Charge
    0
    Heavy Atom Count
    13
    Monoisotopic Mass
    187.024498g/mol
    Rotatable Bond Count
    1
    XLogP3
    2.6
    MSDS
    Download MSDS
    COA
    Download COA
    Spec Sheet
    Download Spec Sheet
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