HuagongsheHuagongshe Chemistry Print Report · For research reference only
Propanal, 3-chloro-
3-chloropropanal · Propanal, 3-chloro- (9CI)
Identifiers & Physical Properties
| CAS No. | 19434-65-2 |
|---|---|
| Molecular formula | C3H5ClO |
| Average molar mass | 92.52 g/mol |
| Monoisotopic mass | 92.00289246 g/mol |
| SMILES | O=CCCCl |
| InChIKey | FFDNRFMIOVQZMT-UHFFFAOYSA-N |
| PubChem CID | 29596 |
| DTXSID | DTXSID40173060 |
Chemical & Physical Properties
| XLogP | 0.3 |
|---|---|
| Topological polar surface area | 17.1 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 2 |
| Heavy atoms | 5 |
| Formal charge | 0 |
| Complexity | 28.1 |
| SpringerMaterials Properties | Optical coefficient |
| Melting point | <-20 °C |
| Boiling point | 84.72°C (rough estimate) |
| Density | 1.2680 |
| Refractive index | 1.4750 (estimate) |