1,3-Dihydro-5-nitro-1,3-dioxo-2H-isoindole-2-acetonitrile

Base Information

• Chemical Name: 1,3-Dihydro-5-nitro-1,3-dioxo-2H-isoindole-2-acetonitrile
• CAS No.: 857801-98-0
• Molecular Formula: C₁₀H₅N₃O₄
• Molecular Weight: 231.167
• DSSTox Substance ID: DTXSID701196035

Synonyms:DTXSID701196035;AKOS008338886;1,3-Dihydro-5-nitro-1,3-dioxo-2H-isoindole-2-acetonitrile;857801-98-0

Chemical Property of 1,3-Dihydro-5-nitro-1,3-dioxo-2H-isoindole-2-acetonitrile

Chemical Property:

• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 231.02800565
• Heavy Atom Count: 17
• Complexity: 433

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C2=O)CC#N

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