HuagongsheHuagongshe Chemistry Print Report · For research reference only
7-Azafluoranthene
ACENAPHTHO(1,2-B)PYRIDINE · Einecs 205-914-5 · 7-azafluoranthene
Identifiers & Physical Properties
| CAS No. | 206-49-5 |
|---|---|
| Molecular formula | C15H9N |
| Average molar mass | 203.24 g/mol |
| Monoisotopic mass | 203.07349929 g/mol |
| SMILES | c1cnc2c(c1)-c1cccc3cccc-2c13 |
| InChIKey | XJWJTIKXJYAHBE-UHFFFAOYSA-N |
| PubChem CID | 9155 |
| EC No. | 205-914-5 |
| DTXSID | DTXSID90174608 |
Chemical & Physical Properties
| XLogP | 3.5 |
|---|---|
| Topological polar surface area | 12.9 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 0 |
| Heavy atoms | 16 |
| Formal charge | 0 |
| Complexity | 275 |
| Melting point | 96-97 °C(Solv: hexane (110-54-3)) |
| Boiling point | 385.5±11.0 °C(Predicted) |
| Density | 1.309±0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | 5.23±0.30(Predicted) |
| FDA UNII | 0NV15R8N3D |