2-(4-nitrophenyl)-2-oxoethyl 4-(3,4-dicyanophenoxy)benzoate
Chemical Structure Depiction of
2-(4-nitrophenyl)-2-oxoethyl 4-(3,4-dicyanophenoxy)benzoate
2-(4-nitrophenyl)-2-oxoethyl 4-(3,4-dicyanophenoxy)benzoate
Compound characteristics
| Compound ID: | 8006-8858 |
| Compound Name: | 2-(4-nitrophenyl)-2-oxoethyl 4-(3,4-dicyanophenoxy)benzoate |
| Molecular Weight: | 427.37 |
| Molecular Formula: | C23 H13 N3 O6 |
| Smiles: | C(C(c1ccc(cc1)[N+]([O-])=O)=O)OC(c1ccc(cc1)Oc1ccc(C#N)c(C#N)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1608 |
| logD: | 4.1608 |
| logSw: | -4.5255 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 108.585 |
| InChI Key: | VJNOYFOQAVCPHZ-UHFFFAOYSA-N |