6-chloro-4-ethyl-7-[(4-nitrophenyl)methoxy]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-chloro-4-ethyl-7-[(4-nitrophenyl)methoxy]-2H-1-benzopyran-2-one
6-chloro-4-ethyl-7-[(4-nitrophenyl)methoxy]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-7790 |
| Compound Name: | 6-chloro-4-ethyl-7-[(4-nitrophenyl)methoxy]-2H-1-benzopyran-2-one |
| Molecular Weight: | 359.76 |
| Molecular Formula: | C18 H14 Cl N O5 |
| Smiles: | CCC1=CC(=O)Oc2cc(c(cc12)[Cl])OCc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.8245 |
| logD: | 4.8245 |
| logSw: | -5.051 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.341 |
| InChI Key: | CIFNSVBZNKUCLW-UHFFFAOYSA-N |