6-(bromoethynyl)-4-methoxy-2H-1,3-benzodioxole
Chemical Structure Depiction of
6-(bromoethynyl)-4-methoxy-2H-1,3-benzodioxole
6-(bromoethynyl)-4-methoxy-2H-1,3-benzodioxole
Compound characteristics
| Compound ID: | 8020-5747 |
| Compound Name: | 6-(bromoethynyl)-4-methoxy-2H-1,3-benzodioxole |
| Molecular Weight: | 255.06 |
| Molecular Formula: | C10 H7 Br O3 |
| Smiles: | COc1cc(C#C[Br])cc2c1OCO2 |
| Stereo: | ACHIRAL |
| logP: | 2.9727 |
| logD: | 2.9727 |
| logSw: | -2.9457 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 24.6685 |
| InChI Key: | VFFOXWXOEFPGQX-UHFFFAOYSA-N |