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

  • CAS No. 126062-22-4

  • Cat. No. CS-0566800
  • Purity≥98%
  • MDL No.None

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

7-Amino-3-(2-bromoethoxy)-4-chloro-1H-isochromen-1-one|CS-0566800

Structure of 126062-22-4

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General Information

  • CAS No. 126062-22-4
  • Cat. No. CS-0566800
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₉BrClNO₃
  • Molecular Weight 318.55
  • Synonym(s) 7-Amino-3-(2-bromoethoxy)-4-chloroisocoumarin
  • SMILES O=C1OC(OCCBr)=C(C2=C1C=C(N)C=C2)Cl

Synthesis

  • Route1
    • null|null
      141468-73-7
    • ~99%
    • 7-Amino-3-(2-bromoethoxy)-4-chloro-1H-isochromen-1-one|CS-0566800
      126062-22-4

    References

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

    References

    • Bioorganic and Medicinal Chemistry, , vol. 11, # 14 p. 3141 - 3152
  • Route3
    • null|null
      141468-58-8
    • ~%
    • 7-Amino-3-(2-bromoethoxy)-4-chloro-1H-isochromen-1-one|CS-0566800
      126062-22-4

    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

Quality Control

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Computational Chemistry Data

  • TPSA   65.46
  • LogP   2.8023
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   3

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