3-chloro-4-cyanophenyl 2-chloro-4-[(4-heptylbenzoyl)oxy]benzoate
Chemical Structure Depiction of
3-chloro-4-cyanophenyl 2-chloro-4-[(4-heptylbenzoyl)oxy]benzoate
3-chloro-4-cyanophenyl 2-chloro-4-[(4-heptylbenzoyl)oxy]benzoate
Compound characteristics
| Compound ID: | 1222-0161 |
| Compound Name: | 3-chloro-4-cyanophenyl 2-chloro-4-[(4-heptylbenzoyl)oxy]benzoate |
| Molecular Weight: | 510.42 |
| Molecular Formula: | C28 H25 Cl2 N O4 |
| Smiles: | CCCCCCCc1ccc(cc1)C(=O)Oc1ccc(C(=O)Oc2ccc(C#N)c(c2)[Cl])c(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 8.9393 |
| logD: | 8.9393 |
| logSw: | -6.5547 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.05 |
| InChI Key: | NJTMHQUJAVTPTD-UHFFFAOYSA-N |