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    BUILDING BLOCK

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    Chemistry

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    Also known as: 871700-18-4, N-cyclopropyl-n'-(2-fluoro-4-iodophenyl)urea, Schembl1418851, Dtxsid20732730, Bcp15335, Cs-m0419
    Molecular Formula
    C10H10FIN2O
    Molecular Weight
    320.10  g/mol
    InChI Key
    GAJDOJAFIZOJMS-UHFFFAOYSA-N
    CAS 871700-18-4
    1 2D Structure

    CAS 871700-18-4

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-cyclopropyl-3-(2-fluoro-4-iodophenyl)urea
    2.1.2 InChI
    InChI=1S/C10H10FIN2O/c11-8-5-6(12)1-4-9(8)14-10(15)13-7-2-3-7/h1,4-5,7H,2-3H2,(H2,13,14,15)
    2.1.3 InChI Key
    GAJDOJAFIZOJMS-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CC1NC(=O)NC2=C(C=C(C=C2)I)F
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 871700-18-4

    2. N-cyclopropyl-n'-(2-fluoro-4-iodophenyl)urea

    3. Schembl1418851

    4. Dtxsid20732730

    5. Bcp15335

    6. Cs-m0419

    7. Wjb70018

    8. Zinc91302212

    9. Cs-13334

    10. C11192

    11. A916795

    12. A1-12526

    2.3 Create Date
    2012-08-20
    3 Chemical and Physical Properties
    Molecular Weight 320.10 g/mol
    Molecular Formula C10H10FIN2O
    XLogP32.2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count2
    Exact Mass319.98219 g/mol
    Monoisotopic Mass319.98219 g/mol
    Topological Polar Surface Area41.1 Ų
    Heavy Atom Count15
    Formal Charge0
    Complexity248
    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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