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    CAS 1030825-20-7

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 1030825-20-7, 2-[(5-bromo-2-methylphenyl)methyl]-5-(4-fluorophenyl)thiophene, W76hxe3gl5, 2-(4-fluorophenyl)-5-[(5-bromo-2-methylphenyl)methyl]thiophene, Mfcd21496340, 2-(5-bromo-2-methylbenzyl)-5-(4-fluorophenyl]thiophene
    Molecular Formula
    C18H14BrFS
    Molecular Weight
    361.3  g/mol
    InChI Key
    VLRIERSBZHUCOW-UHFFFAOYSA-N
    FDA UNII
    W76HXE3GL5
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[(5-bromo-2-methylphenyl)methyl]-5-(4-fluorophenyl)thiophene
    2.1.2 InChI
    InChI=1S/C18H14BrFS/c1-12-2-5-15(19)10-14(12)11-17-8-9-18(21-17)13-3-6-16(20)7-4-13/h2-10H,11H2,1H3
    2.1.3 InChI Key
    VLRIERSBZHUCOW-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=C(C=C(C=C1)Br)CC2=CC=C(S2)C3=CC=C(C=C3)F
    2.2 Other Identifiers
    2.2.1 UNII
    W76HXE3GL5
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 1030825-20-7

    2. 2-[(5-bromo-2-methylphenyl)methyl]-5-(4-fluorophenyl)thiophene

    3. W76hxe3gl5

    4. 2-(4-fluorophenyl)-5-[(5-bromo-2-methylphenyl)methyl]thiophene

    5. Mfcd21496340

    6. 2-(5-bromo-2-methylbenzyl)-5-(4-fluorophenyl]thiophene

    7. 2-((5-bromo-2-methylphenyl)methyl)-5-(4-fluorophenyl)thiophene

    8. 2-[(5-bromo-2-methylphenyl)methyl]-5-(4-fluorophenyl)-thiophene

    9. Thiophene, 2-((5-bromo-2-methylphenyl)methyl)-5-(4-fluorophenyl)-

    10. Canagliflozin Intermediates

    11. Unii-w76hxe3gl5

    12. Schembl154701

    13. Amy4161

    14. Dtxsid10677368

    15. Bcp07730

    16. Cs-m1889

    17. Bbl103020

    18. Stl556829

    19. Zinc71973419

    20. Akos016004335

    21. Ac-26308

    22. As-20009

    23. Da-28029

    24. Sy112941

    25. B5335

    26. Ft-0697204

    27. A852065

    28. A1-00243

    29. 2-(5-bromo-2-methylbenzyl)-5-(4-fluorphenyl)-thiophene

    30. 2-[(5-bromo-2-methyl-phenyl)methyl]-5-(4-fluorophenyl)thiophene

    31. Thiophene,2-[(5-bromo-2-methylphenyl)methyl]-5-(4-fluorophenyl)-

    32. 2-(5-bromo-2-methylbenzyl)-5-(4-fluorophenyl)thiophene;2-(5-bromo-2-methylbenzyl)-5-(4-fluorophenyl]thiophene

    2.4 Create Date
    2010-11-01
    3 Chemical and Physical Properties
    Molecular Weight 361.3 g/mol
    Molecular Formula C18H14BrFS
    XLogP36.4
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count3
    Exact Mass359.99836 g/mol
    Monoisotopic Mass359.99836 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