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    224323-51-7 manufacturers and suppliers on PharmaCompass

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    224323-51-7

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    224323-51-7
    Also known as: 224323-51-7, 4-(2-fluoro-4-isocyanatophenyl)morpholine, Morpholine, 4-(2-fluoro-4-isocyanatophenyl)-, Mfcd23381074, Schembl2586326, Dtxsid601269132
    Molecular Formula
    C11H11FN2O2
    Molecular Weight
    222.22  g/mol
    InChI Key
    JFYQLZHULWIALT-UHFFFAOYSA-N
    1 2D Structure

    224323-51-7

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-(2-fluoro-4-isocyanatophenyl)morpholine
    2.1.2 InChI
    InChI=1S/C11H11FN2O2/c12-10-7-9(13-8-15)1-2-11(10)14-3-5-16-6-4-14/h1-2,7H,3-6H2
    2.1.3 InChI Key
    JFYQLZHULWIALT-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1COCCN1C2=C(C=C(C=C2)N=C=O)F
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 224323-51-7

    2. 4-(2-fluoro-4-isocyanatophenyl)morpholine

    3. Morpholine, 4-(2-fluoro-4-isocyanatophenyl)-

    4. Mfcd23381074

    5. Schembl2586326

    6. Dtxsid601269132

    7. 3-fluoro4-morpholinylphenylisocyanate

    8. Zinc81119932

    9. 3-fluoro-4-morpholinophenyl Isocyanate

    10. 3-fluoro-4-morpholinylphenylisocyanate

    11. Akos028108837

    12. As-33228

    13. 3-fluoro-4-(morpholinyl)phenyl Isocyanate

    14. J3.527.271b

    15. A856735

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 222.22 g/mol
    Molecular Formula C11H11FN2O2
    XLogP32.6
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count2
    Exact Mass222.08045576 g/mol
    Monoisotopic Mass222.08045576 g/mol
    Topological Polar Surface Area41.9 Ų
    Heavy Atom Count16
    Formal Charge0
    Complexity275
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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