8-chloro-7-[2-(3-nitrophenyl)-2-oxoethoxy]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Chemical Structure Depiction of
8-chloro-7-[2-(3-nitrophenyl)-2-oxoethoxy]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
8-chloro-7-[2-(3-nitrophenyl)-2-oxoethoxy]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Compound characteristics
| Compound ID: | Y041-1393 |
| Compound Name: | 8-chloro-7-[2-(3-nitrophenyl)-2-oxoethoxy]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one |
| Molecular Weight: | 399.79 |
| Molecular Formula: | C20 H14 Cl N O6 |
| Smiles: | C1CC2=C(C1)c1cc(c(cc1OC2=O)OCC(c1cccc(c1)[N+]([O-])=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.4739 |
| logD: | 4.4739 |
| logSw: | -4.7575 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.389 |
| InChI Key: | KSFRKXNJRWOJDZ-UHFFFAOYSA-N |