Methyl 3-(cyanomethyl)-4-nitro-1H-indole-1-carboxylate

Base Information

• Chemical Name: Methyl 3-(cyanomethyl)-4-nitro-1H-indole-1-carboxylate
• CAS No.: 89245-40-9
• Molecular Formula: C12H9N3O4
• Molecular Weight: 259.221
• DSSTox Substance ID: DTXSID30542286
• Wikidata: Q82418898

Synonyms:89245-40-9;Methyl 3-(cyanomethyl)-4-nitro-1H-indole-1-carboxylate;DTXSID30542286

Chemical Property of Methyl 3-(cyanomethyl)-4-nitro-1H-indole-1-carboxylate

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 259.05930578
• Heavy Atom Count: 19
• Complexity: 424

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MSDS Files:

Useful:

• Canonical SMILES: COC(=O)N1C=C(C2=C1C=CC=C2[N+](=O)[O-])CC#N

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