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5-Nitroquinoxalin-2(1H)-one

  • CAS No. 55687-20-2

  • Cat. No. CS-0547968
  • Molecule weight191.14
  • Purity≥98%
  • MDL No.None

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

5-Nitroquinoxalin-2(1H)-one|CS-0547968

Structure of 55687-20-2

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General Information

  • CAS No. 55687-20-2
  • Cat. No. CS-0547968
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅N₃O₃
  • Molecular Weight 191.14
  • Synonym(s) None
  • SMILES C1=CC2=C(C(=C1)[N+](=O)[O-])N=CC(=O)N2

Synthesis

  • Route1

    References

    • Chen, Ping; Barrish, Joel C.; Iwanowicz, Edwin; Lin, James; Bednarz, Mark S.; Chen, Bang-Chi Tetrahedron Letters, 2001 , vol. 42, # 26 p. 4293 - 4295
  • Route2

    References

    • Chen, Ping; Iwanowicz, Edwin J.; Norris, Derek; Gu, Henry H.; Lin, James; Moquin, Robert V.; Das, Jagabandhu; Wityak, John; Spergel, Steven H.; De Fex, Henry; Pang, Suhong; Pitt, Sydney; Shen, Ding Ren; Schieven, Gary L.; Barrish, Joel C. Bioorganic and Medicinal Chemistry Letters, 2002 , vol. 12, # 21 p. 3153 - 3156

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   88.89
  • LogP   0.8313
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   1

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