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    Also known as: 898566-17-1, 2-(4-fluorophenyl)-5-(5-iodo-2-methylbenzyl)thiophene, 2-(4-fluorophenyl)-5-((5-iodo-2-methylphenyl)methyl)thiophene, Mfcd12405593, 2-(4-fluorophenyl)-5-[(5-iodo-2-methylphenyl) methyl]thiophene, Ec 618-312-6
    Molecular Formula
    C18H14FIS
    Molecular Weight
    408.3  g/mol
    InChI Key
    MGXZKAYHSITHMW-UHFFFAOYSA-N
    CAS 898566-17-1
    1 2D Structure

    CAS 898566-17-1

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-(4-fluorophenyl)-5-[(5-iodo-2-methylphenyl)methyl]thiophene
    2.1.2 InChI
    InChI=1S/C18H14FIS/c1-12-2-7-16(20)10-14(12)11-17-8-9-18(21-17)13-3-5-15(19)6-4-13/h2-10H,11H2,1H3
    2.1.3 InChI Key
    MGXZKAYHSITHMW-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=C(C=C(C=C1)I)CC2=CC=C(S2)C3=CC=C(C=C3)F
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 898566-17-1

    2. 2-(4-fluorophenyl)-5-(5-iodo-2-methylbenzyl)thiophene

    3. 2-(4-fluorophenyl)-5-((5-iodo-2-methylphenyl)methyl)thiophene

    4. Mfcd12405593

    5. 2-(4-fluorophenyl)-5-[(5-iodo-2-methylphenyl) Methyl]thiophene

    6. Ec 618-312-6

    7. Schembl1585350

    8. Amy4389

    9. Dtxsid80672128

    10. Bcp07751

    11. Cs-m1890

    12. Thiophene,2-(4-fluorophenyl)-5-[(5-iodo-2-methylphenyl)methyl]-

    13. Zinc39351846

    14. Akos005145830

    15. Ac-5965

    16. As-20008

    17. Sy047875

    18. Db-078530

    19. Ft-0646688

    20. 566f171

    21. A843352

    22. J-524957

    23. 2-(5-iodo-2-methylbenzyl)-5-(4-fluorophenyl)thiophene

    24. 1,3,5-tri-o-acetyl-2-deoxy-

    25. A-d-erythro Cpentofuranose

    26. 2-(4-fluorophenyl)-5-[(5-iodanyl-2-methyl-phenyl)methyl]thiophene

    27. Thiophene, 2-(4-fluorophenyl)-5-[(5-iodo-2-methylphenyl)methyl]thiophene

    2.3 Create Date
    2010-06-21
    3 Chemical and Physical Properties
    Molecular Weight 408.3 g/mol
    Molecular Formula C18H14FIS
    XLogP36.3
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count3
    Exact Mass407.98450 g/mol
    Monoisotopic Mass407.98450 g/mol
    Topological Polar Surface Area28.2 Ų
    Heavy Atom Count21
    Formal Charge0
    Complexity329
    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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