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    BUILDING BLOCK

    PharmaCompass

    Chemistry

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    Also known as: 35277-02-2, 4-fluoropyrazole, C3h3fn2, Mfcd10699125, 1h-pyrazole, 4-fluoro-, 4-fluoro-1h-pyrazole, 95%
    Molecular Formula
    C3H3FN2
    Molecular Weight
    86.07  g/mol
    InChI Key
    RYXJXPHWRBWEEB-UHFFFAOYSA-N
    CAS 35277-02-2
    1 2D Structure

    CAS 35277-02-2

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-fluoro-1H-pyrazole
    2.1.2 InChI
    InChI=1S/C3H3FN2/c4-3-1-5-6-2-3/h1-2H,(H,5,6)
    2.1.3 InChI Key
    RYXJXPHWRBWEEB-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=C(C=NN1)F
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 35277-02-2

    2. 4-fluoropyrazole

    3. C3h3fn2

    4. Mfcd10699125

    5. 1h-pyrazole, 4-fluoro-

    6. 4-fluoro-1h-pyrazole, 95%

    7. Dtxsid60956716

    8. Ryxjxphwrbweeb-uhfffaoysa-n

    9. Amy34972

    10. Bbl102264

    11. Stl556063

    12. Akos005255328

    13. Ab62567

    14. Sy031964

    15. Db-069188

    16. Cs-0040458

    17. En300-125422

    18. A854681

    2.3 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 86.07 g/mol
    Molecular Formula C3H3FN2
    XLogP3-0.3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count0
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area28.7
    Heavy Atom Count6
    Formal Charge0
    Complexity48.1
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    BUILDING BLOCK

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