3-(5-bromo-2-methoxyphenyl)-3-oxopropanenitrile
Chemical Structure Depiction of
3-(5-bromo-2-methoxyphenyl)-3-oxopropanenitrile
3-(5-bromo-2-methoxyphenyl)-3-oxopropanenitrile
Compound characteristics
| Compound ID: | 8020-2701 |
| Compound Name: | 3-(5-bromo-2-methoxyphenyl)-3-oxopropanenitrile |
| Molecular Weight: | 254.08 |
| Molecular Formula: | C10 H8 Br N O2 |
| Smiles: | COc1ccc(cc1C(CC#N)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.0383 |
| logD: | 0.5455 |
| logSw: | -2.7062 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 38.608 |
| InChI Key: | PARSPDBRWJTYLA-UHFFFAOYSA-N |