5-{[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene}-2,2-dimethyl-1,3-dioxane-4,6-dione
Chemical Structure Depiction of
5-{[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene}-2,2-dimethyl-1,3-dioxane-4,6-dione
5-{[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene}-2,2-dimethyl-1,3-dioxane-4,6-dione
Compound characteristics
| Compound ID: | 8008-7147 |
| Compound Name: | 5-{[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene}-2,2-dimethyl-1,3-dioxane-4,6-dione |
| Molecular Weight: | 377.74 |
| Molecular Formula: | C17 H12 Cl N O7 |
| Smiles: | CC1(C)OC(C(=Cc2ccc(c3ccc(c(c3)[N+]([O-])=O)[Cl])o2)C(=O)O1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6822 |
| logD: | 3.6822 |
| logSw: | -4.3077 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 82.095 |
| InChI Key: | YXCAXARLFFEEJQ-UHFFFAOYSA-N |