HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-(Bromomethoxy)ethyl acetate
(2-Acetoxyethoxy)-methyl bromide · Ethanol, 2-(bromomethoxy)-, 1-acetate · ACETIC ACID 2-BROMOMETHOXY-ETHYL ESTER
Identifiers & Physical Properties
| CAS No. | 81777-40-4 |
|---|---|
| Molecular formula | C5H9BrO3 |
| Average molar mass | 197.03 g/mol |
| Monoisotopic mass | 195.97350625 g/mol |
| SMILES | CC(=O)OCCOCBr |
| InChIKey | AOWRRNLQOFCITG-UHFFFAOYSA-N |
| PubChem CID | 367656 |
| ChEMBL | CHEMBL1986586 |
| DTXSID | DTXSID80327227 |
Chemical & Physical Properties
| XLogP | 0.8 |
|---|---|
| Topological polar surface area | 35.5 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 5 |
| Heavy atoms | 9 |
| Formal charge | 0 |
| Complexity | 84.3 |
| Boiling point | 221.7±15.0 °C(Predicted) |
| Density | 1.469±0.06 g/cm3(Predicted) |