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    BUILDING BLOCK

    PharmaCompass

    Chemistry

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    Also known as: 575452-22-1, 1-(1-ethoxyethyl)-4-iodopyrazole, 1-(1-ethoxy-ethyl)-4-iodo-1h-pyrazole, Mfcd22123601, 1h-pyrazole, 1-(1-ethoxyethyl)-4-iodo-, C7h11in2o
    Molecular Formula
    C7H11IN2O
    Molecular Weight
    266.08  g/mol
    InChI Key
    XPDWYXNGYUFNEG-UHFFFAOYSA-N
    CAS 575452-22-1
    1 2D Structure

    CAS 575452-22-1

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-(1-ethoxyethyl)-4-iodopyrazole
    2.1.2 InChI
    InChI=1S/C7H11IN2O/c1-3-11-6(2)10-5-7(8)4-9-10/h4-6H,3H2,1-2H3
    2.1.3 InChI Key
    XPDWYXNGYUFNEG-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCOC(C)N1C=C(C=N1)I
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 575452-22-1

    2. 1-(1-ethoxyethyl)-4-iodopyrazole

    3. 1-(1-ethoxy-ethyl)-4-iodo-1h-pyrazole

    4. Mfcd22123601

    5. 1h-pyrazole, 1-(1-ethoxyethyl)-4-iodo-

    6. C7h11in2o

    7. Schembl1343572

    8. Dtxsid30405105

    9. Amy34506

    10. Aya45222

    11. Cs-d0585

    12. Stl583982

    13. Akos015998572

    14. Ds-7434

    15. Sy030204

    16. Db-102478

    17. Bb 0258397

    18. En300-232895

    19. F14600

    20. A869650

    2.3 Create Date
    2005-09-16
    3 Chemical and Physical Properties
    Molecular Weight 266.08 g/mol
    Molecular Formula C7H11IN2O
    XLogP31.5
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count3
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area27
    Heavy Atom Count11
    Formal Charge0
    Complexity123
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    BUILDING BLOCK

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