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CS-W001157 4
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2-(5-Chlorobenzo[d]isoxazol-3-yl)acetic acid

  • CAS No. 59899-91-1

  • Cat. No. CS-0071718
  • Molecule weight211.60
  • Purity≥97%
  • MDL No.None

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

2-(5-Chlorobenzo[d]isoxazol-3-yl)acetic acid|CS-0071718

Structure of 59899-91-1

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General Information

  • CAS No. 59899-91-1
  • Cat. No. CS-0071718
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆ClNO₃
  • Molecular Weight 211.60
  • Synonym(s) 5-chloro-1,2-benzisoxazole-3-acetic acid
  • SMILES O=C(O)CC1=NOC2=CC=C(Cl)C=C12

Synthesis

  • Route1

    References

    • Branca, Camillo; Ricci, Ada; Torelli, Anna; Maggiali, Cesare A.; Ronchini, Ferdinando; Bassi, Maria Phytochemistry (Elsevier), 1993 , vol. 32, # 4 p. 777 - 780

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   63.33
  • LogP   2.1083
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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