3-Nitrocinnoline-4-carbonitrile
3-nitrocinnoline-4-carbonitrile
Also Known As: 3-nitrocinnoline-4-carbonitrile|4-Cinnolinecarbonitrile,3-nitro|4-Cinnolinecarbonitrile, 3-nitro-|ZB1208|A3322/0141127
CAS: 87953-99-9
| Molecular Formula | C9H4N4O2 |
|---|---|
| Molecular Weight | 200.03343 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 95.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 200.03343 |
| Monoisotopic Mass | 200.03343 |
| Heavy Atoms | 15 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 87953-99-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(N=N2)[N+](=O)[O-])C#N |
| InChIKey | OYMKDTIKLZKLLE-UHFFFAOYSA-N |
Product Overview
3-Nitrocinnoline-4-carbonitrile (CAS 87953-99-9), with molecular formula C9H4N4O2 and molecular weight 200.03343 g/mol. IUPAC: 3-nitrocinnoline-4-carbonitrile.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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