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Ethyl 2,2-difluoro-2-(3-fluorophenyl)acetate

  • CAS No. 698378-81-3

  • Cat. No. CS-0212443
  • Molecule weightNone
  • Purity≥98%
  • MDL No.MFCD16036119

*For research and further manufacturing use only, not for direct human use.

Ethyl 2,2-difluoro-2-(3-fluorophenyl)acetate|CS-0212443

Structure of 698378-81-3

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General Information

  • CAS No. 698378-81-3
  • Cat. No. CS-0212443
  • Purity ≥98%
  • MDL No. MFCD16036119
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉F₃O₂
  • Molecular Weight None
  • Synonym(s) Difluoro-(3-fluoro-phenyl)-acetic acid
  • SMILES CCOC(=O)C(C1=CC(=CC=C1)F)(F)F

Synthesis

  • Route1

    References

    • Kreutter, Kevin D.; Lu, Tianbao; Lee, Lily; Giardino, Edward C.; Patel, Sharmila; Huang, Hui; Xu, Guozhang; Fitzgerald, Mark; Haertlein, Barbara J.; Mohan, Venkatraman; Crysler, Carl; Eisennagel, Stephen; Dasgupta, Malini; McMillan, Martin; Spurlino, John C.; Huebert, Norman D.; Maryanoff, Bruce E.; Tomczuk, Bruce E.; Damiano, Bruce P.; Player, Mark R. Bioorganic and Medicinal Chemistry Letters, 2008 , vol. 18, # 9 p. 2865 - 2870

Safety Information

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.4806
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   3

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