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CS-W001157 4
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6-Methyl-5-nitroisoquinolin-1(2H)-one

  • CAS No. 943606-85-7

  • Cat. No. CS-0437177
  • Purity≥98%
  • MDL No.None

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

6-Methyl-5-nitroisoquinolin-1(2H)-one|CS-0437177

Structure of 943606-85-7

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General Information

  • CAS No. 943606-85-7
  • Cat. No. CS-0437177
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₈N₂O₃
  • Molecular Weight 204.18
  • Synonym(s) 6-Methyl-5-nitroisoquinolin-1-ol
  • SMILES O=C1NC=CC2=C1C=CC(C)=C2[N+]([O-])=O

Synthesis

  • Route1

    References

    • Smith, Adrian L.; DeMorin, Frenel F.; Paras, Nick A.; Huang, Qi; Petkus, Jeffrey K.; Doherty, Elizabeth M.; Nixey, Thomas; Kim, Joseph L.; Whittington, Douglas A.; Epstein, Linda F.; Lee, Matthew R.; Rose, Mark J.; Babij, Carol; Fernando, Manory; Hess, Kristen; Le, Quynh; Beltran, Pedro; Carnahan, Josette Journal of Medicinal Chemistry, 2009 , vol. 52, # 20 p. 6189 - 6192

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

Quality Control

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Computational Chemistry Data

  • TPSA   76
  • LogP   1.74472
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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