3-(3-bromo-4,5-dimethoxyphenyl)-3-oxopropanenitrile
Chemical Structure Depiction of
3-(3-bromo-4,5-dimethoxyphenyl)-3-oxopropanenitrile
3-(3-bromo-4,5-dimethoxyphenyl)-3-oxopropanenitrile
Compound characteristics
| Compound ID: | 8020-8135 |
| Compound Name: | 3-(3-bromo-4,5-dimethoxyphenyl)-3-oxopropanenitrile |
| Molecular Weight: | 284.11 |
| Molecular Formula: | C11 H10 Br N O3 |
| Smiles: | COc1cc(cc(c1OC)[Br])C(CC#N)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9536 |
| logD: | 0.4608 |
| logSw: | -2.1962 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.325 |
| InChI Key: | DDYVGGYGYYINHN-UHFFFAOYSA-N |