4-cyanophenyl 4-butoxy-2-chlorobenzoate
Chemical Structure Depiction of
4-cyanophenyl 4-butoxy-2-chlorobenzoate
4-cyanophenyl 4-butoxy-2-chlorobenzoate
Compound characteristics
| Compound ID: | 1222-0157 |
| Compound Name: | 4-cyanophenyl 4-butoxy-2-chlorobenzoate |
| Molecular Weight: | 329.78 |
| Molecular Formula: | C18 H16 Cl N O3 |
| Smiles: | CCCCOc1ccc(C(=O)Oc2ccc(C#N)cc2)c(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.2941 |
| logD: | 5.2941 |
| logSw: | -5.9263 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.09 |
| InChI Key: | LFBNSGULXRERCQ-UHFFFAOYSA-N |