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CS-W001157 4
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Methyl 1-(4-chlorophenyl)-5-(2-methoxy-2-oxoethyl)-1H-1,2,3-triazole-4-carboxylate

  • CAS No. 114462-77-0

  • Cat. No. CS-0363593
  • Purity95+%
  • MDL No.None

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

Methyl 1-(4-chlorophenyl)-5-(2-methoxy-2-oxoethyl)-1H-1,2,3-triazole-4-carboxylate|CS-0363593

Structure of 114462-77-0

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General Information

  • CAS No. 114462-77-0
  • Cat. No. CS-0363593
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₂ClN₃O₄
  • Molecular Weight 309.71
  • Synonym(s) 1H-1,2,3-Triazole-5-acetic acid, 1-(4-chlorophenyl)-4-(methoxycarbonyl)-, methyl ester
  • SMILES COC(=O)CC1=C(C(=O)OC)N=NN1C2=CC=C(C=C2)Cl

Synthesis

  • Route1

    References

    • Bulletin des Societes Chimiques Belges, , vol. 96, # 10 p. 823 - 824

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   83.31
  • LogP   1.4228
  • H_Acceptors   7
  • H_Donors   0
  • Rotatable_Bonds   4

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