HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-Bromo-2-naphthyl 3-bromo-4-methoxybenzoate
1-bromo-2-naphthyl 3-bromo-4-methoxybenzoate · 1-bromonaphthalen-2-yl 3-bromo-4-methoxybenzoate · Benzoic acid, 3-bromo-4-methoxy-, 1-bromo-2-naphthalenyl ester
Identifiers & Physical Properties
| CAS No. | 445408-99-1 |
|---|---|
| Molecular formula | C18H12Br2O3 |
| Average molar mass | 436.1 g/mol |
| SMILES | COc1ccc(C(=O)Oc2ccc3ccccc3c2Br)cc1Br |
| InChIKey | AKAAKFTVXOVAIM-UHFFFAOYSA-N |
Chemical & Physical Properties
| XLogP | 5.9 |
|---|---|
| Topological polar surface area | 35.5 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 4 |
| Heavy atoms | 23 |
| Formal charge | 0 |
| Complexity | 417 |
| Boiling point | 571.6±50.0 °C(Predicted) |
| Density | 1.656±0.06 g/cm3(Predicted) |