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CS-W001157 4
Total: USD 88.00

4-(4-Chloro-3-nitrophenyl)-3-methyl-4-oxobutanoic acid

  • CAS No. 85633-96-1

  • Cat. No. CS-0275744
  • Purity≥97%
  • MDL No.None

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

4-(4-Chloro-3-nitrophenyl)-3-methyl-4-oxobutanoic acid|CS-0275744

Structure of 85633-96-1

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General Information

  • CAS No. 85633-96-1
  • Cat. No. CS-0275744
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₀ClNO₅
  • Molecular Weight 271.65
  • Synonym(s) None
  • SMILES CC(CC(=O)O)C(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]

Synthesis

  • Route1

    References

    • Jonas, R; Klockow, M; Lues, I; Pruecher, H; Schliep, H J; Wurziger, H European Journal of Medicinal Chemistry, 1993 , vol. 28, # 2 p. 129 - 140
  • Route2

    References

    • Jonas, R; Klockow, M; Lues, I; Pruecher, H; Schliep, H J; Wurziger, H European Journal of Medicinal Chemistry, 1993 , vol. 28, # 2 p. 129 - 140
  • Route3
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    • 4-(4-Chloro-3-nitrophenyl)-3-methyl-4-oxobutanoic acid|CS-0275744
      85633-96-1

    References

    • Jonas, R; Klockow, M; Lues, I; Pruecher, H; Schliep, H J; Wurziger, H European Journal of Medicinal Chemistry, 1993 , vol. 28, # 2 p. 129 - 140

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   97.51
  • LogP   2.5417
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   5

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