HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-chloro-N-[(4-propan-2-yloxyphenyl)methylideneamino]benzamide
3-chloro-N'-(4-isopropoxybenzylidene)benzohydrazide
![3-chloro-N-[(4-propan-2-yloxyphenyl)methylideneamino]benzamide molecular structure](/img/chemical/178894271.png)
Identifiers & Physical Properties
| CAS No. | 360057-86-9 |
|---|---|
| Molecular formula | C17H17ClN2O2 |
| Average molar mass | 316.8 g/mol |
| SMILES | CC(C)Oc1ccc(C=NNC(=O)c2cccc(Cl)c2)cc1 |
| InChIKey | WTWJEWRNXIOLPC-UHFFFAOYSA-N |
Chemical & Physical Properties
| XLogP | 4 |
|---|---|
| Topological polar surface area | 50.7 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 5 |
| Heavy atoms | 22 |
| Formal charge | 0 |
| Complexity | 379 |
| Density | 1.173±0.14 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted) |
| pKa (acidity coefficient) | 11.593±0.46(predicted) |