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CS-W001157 4
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5-Fluoro-2-(trifluoroacetamido)benzoic acid

  • CAS No. 49579-59-1

  • Cat. No. CS-0233681
  • Purity≥98%
  • MDL No.None

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

5-Fluoro-2-(trifluoroacetamido)benzoic acid|CS-0233681

Structure of 49579-59-1

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General Information

  • CAS No. 49579-59-1
  • Cat. No. CS-0233681
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₅F₄NO₃
  • Molecular Weight 251.13
  • Synonym(s) 5-Fluoro-2-(2,2,2-trifluoroacetamido)benzoic acid
  • SMILES O=C(O)C1=CC(F)=CC=C1NC(C(F)(F)F)=O

Synthesis

  • Route1

    References

    • SIRTRIS PHARMACEUTICALS, INC.; VU, Chi, B.; DISCH, Jeremy, S.; NG, Pui, Yee; BLUM, Charles, A.; PERNI, Robert, B. Patent: WO2010/3048 A1, 2010 ; Location in patent: Page/Page column 126 ; WO 2010/003048 A1

Safety Information

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Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   66.4
  • LogP   2.0247
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   2

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