6-bromo-4,7-dimethoxy-2H-1,3-benzodioxole-5-carbonitrile
Chemical Structure Depiction of
6-bromo-4,7-dimethoxy-2H-1,3-benzodioxole-5-carbonitrile
6-bromo-4,7-dimethoxy-2H-1,3-benzodioxole-5-carbonitrile
Compound characteristics
| Compound ID: | 8020-0400 |
| Compound Name: | 6-bromo-4,7-dimethoxy-2H-1,3-benzodioxole-5-carbonitrile |
| Molecular Weight: | 286.08 |
| Molecular Formula: | C10 H8 Br N O4 |
| Smiles: | COc1c(C#N)c(c(c2c1OCO2)OC)[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.319 |
| logD: | 2.319 |
| logSw: | -2.0649 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.213 |
| InChI Key: | QEBSGPAPUKAXNU-UHFFFAOYSA-N |