HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-Furaldehyde, 5-nitro-, 4-methylsemicarbazone
5-Nitro-2-furaldehyde 4-methyl semicarbazone · Hydrazinecarboxamide, N-methyl-2-[(5-nitro-2-furanyl)methylene]-

Identifiers & Physical Properties
| CAS No. | 5407-73-8 |
|---|---|
| Molecular formula | C7H8N4O4 |
| Average molar mass | 212.16 g/mol |
| SMILES | CNC(=O)N/N=C/c1ccc([N+](=O)[O-])o1 |
| InChIKey | LDNQJZXSVZSVNA-UHFFFAOYSA-N |
| PubChem CID | 9561035 |
Chemical & Physical Properties
| XLogP | 0.6 |
|---|---|
| Topological polar surface area | 112 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 2 |
| Heavy atoms | 15 |
| Formal charge | 0 |
| Complexity | 275 |
| Melting point | 201-202 °C (decomp)(Solv: ethanol (64-17-5)) |
| Density | 1.52±0.1 g/cm3(Predicted) |
| pKa (acidity coefficient) | 11.47±0.46(Predicted) |