2-[4-(4-chloro-2-nitrophenoxy)phenyl]-2-oxoethyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate
Chemical Structure Depiction of
2-[4-(4-chloro-2-nitrophenoxy)phenyl]-2-oxoethyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate
2-[4-(4-chloro-2-nitrophenoxy)phenyl]-2-oxoethyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate
Compound characteristics
| Compound ID: | 3796-0461 |
| Compound Name: | 2-[4-(4-chloro-2-nitrophenoxy)phenyl]-2-oxoethyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate |
| Molecular Weight: | 457.82 |
| Molecular Formula: | C22 H16 Cl N O8 |
| Smiles: | CC1=CC(=O)OC(C)=C1C(=O)OCC(c1ccc(cc1)Oc1ccc(cc1[N+]([O-])=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.7469 |
| logD: | 3.7469 |
| logSw: | -4.4985 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 95.064 |
| InChI Key: | SNARXHMCQLEWIM-UHFFFAOYSA-N |