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7-Amino-4-chloro-3-(2-methoxyethoxy)-1H-isochromen-1-one

  • CAS No. 126062-23-5

  • Cat. No. CS-0566978
  • Purity≥98%
  • MDL No.None

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

7-Amino-4-chloro-3-(2-methoxyethoxy)-1H-isochromen-1-one|CS-0566978

Structure of 126062-23-5

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General Information

  • CAS No. 126062-23-5
  • Cat. No. CS-0566978
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₂ClNO₄
  • Molecular Weight 269.68
  • Synonym(s) 7-Amino-4-chloro-3-(2-methoxy-ethoxy)-isocoumarin
  • SMILES O=C1C2=CC(N)=CC=C2C(Cl)=C(OCCOC)O1

Synthesis

  • Route1
    • null|null
      360774-10-3
    • ~99%
    • 7-Amino-4-chloro-3-(2-methoxyethoxy)-1H-isochromen-1-one|CS-0566978
      126062-23-5

    References

    • Bioorganic and Medicinal Chemistry, , vol. 11, # 14 p. 3141 - 3152
  • Route2

    References

    • Bioorganic and Medicinal Chemistry, , vol. 11, # 14 p. 3141 - 3152
  • Route3

    References

    • Bioorganic and Medicinal Chemistry, , vol. 11, # 14 p. 3141 - 3152

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   74.69
  • LogP   2.0538
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   4

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