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CS-W001157 4
Total: USD 88.00

5-Chlorobenzo[c]isoxazol-3(1H)-one

  • CAS No. 344779-31-3

  • Cat. No. CS-0545029
  • Purity≥98%
  • MDL No.None

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

5-Chlorobenzo[c]isoxazol-3(1H)-one|CS-0545029

Structure of 344779-31-3

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General Information

  • CAS No. 344779-31-3
  • Cat. No. CS-0545029
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄ClNO₂
  • Molecular Weight 169.57
  • Synonym(s) 2,1-Benzisoxazol-3(1H)-one,5-chloro-(9CI)
  • SMILES O=C1ONC2=CC=C(Cl)C=C12

Synthesis

  • Route1

    References

    • Snyder, Lawrence B.; Meng, Zhaoxing; Mate, Robert; D'Andrea, Stanley V.; Marinier, Anne; Quesnelle, Claude A.; Gill, Patrice; Den Bleyker, Kenneth L.; Fung-Tomc, Joan C.; Frosco, MaryBeth; Martel, Alain; Barrett, John F.; Bronson, Joanne J. Bioorganic and Medicinal Chemistry Letters, 2004 , vol. 14, # 18 p. 4735 - 4739

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   46
  • LogP   1.7745
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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