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CS-W001157 4
Total: USD 88.00

3-(2-Chloro-6-nitrophenyl)-2-oxopropanoic acid

  • CAS No. 36892-19-0

  • Cat. No. CS-0511466
  • Purity≥98%
  • MDL No.None

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

3-(2-Chloro-6-nitrophenyl)-2-oxopropanoic acid|CS-0511466

Structure of 36892-19-0

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General Information

  • CAS No. 36892-19-0
  • Cat. No. CS-0511466
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆ClNO₅
  • Molecular Weight 243.60
  • Synonym(s) 3--brenztraubensaeure
  • SMILES O=C(O)C(CC1=C([N+]([O-])=O)C=CC=C1Cl)=O

Synthesis

  • Route1

    References

    • Fagan, Gay P.; Chapleo, Christopher B.; Lane, Anthony C.; Myers, Malcolm; Roach, Alan G.; et al Journal of Medicinal Chemistry, 1988 , vol. 31, # 5 p. 944 - 948
  • Route2

    References

    • Uhle Journal of the American Chemical Society, 1949 , vol. 71, p. 761,763
  • Route3

    References

    • Acheson,R.M.; Vernon,J.M. Journal of the Chemical Society, 1962 , p. 1148 - 1157

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   1.4444
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   4

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