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Methyl 2-(5-chlorobenzo[b]thiophen-3-yl)acetate

  • CAS No. 95834-67-6

  • Cat. No. CS-0562432
  • Molecule weight240.71
  • Purity≥98%
  • MDL No.None

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

Methyl 2-(5-chlorobenzo[b]thiophen-3-yl)acetate|CS-0562432

Structure of 95834-67-6

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General Information

  • CAS No. 95834-67-6
  • Cat. No. CS-0562432
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₉ClO₂S
  • Molecular Weight 240.71
  • Synonym(s) Methyl 5-chlorobenzothiophene-3-acetate
  • SMILES COC(=O)CC1=CSC2=C1C=C(C=C2)Cl

Synthesis

  • Route1

    References

    • Qiao, Jennifer X.; Cheng, Xuhong; Modi, Dilip P.; Rossi, Karen A.; Luettgen, Joseph M.; Knabb, Robert M.; Jadhav, Prabhakar K.; Wexler, Ruth R. Bioorganic and Medicinal Chemistry Letters, 2005 , vol. 15, # 1 p. 29 - 35

Safety Information

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GHS Pictogram : N/A
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Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   3.2702
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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