7-methyl-9-[2-nitro-4-(trifluoromethyl)phenoxy]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Chemical Structure Depiction of
7-methyl-9-[2-nitro-4-(trifluoromethyl)phenoxy]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
7-methyl-9-[2-nitro-4-(trifluoromethyl)phenoxy]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Compound characteristics
| Compound ID: | Y040-7117 |
| Compound Name: | 7-methyl-9-[2-nitro-4-(trifluoromethyl)phenoxy]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one |
| Molecular Weight: | 405.33 |
| Molecular Formula: | C20 H14 F3 N O5 |
| Smiles: | Cc1cc2c(C3CCCC=3C(=O)O2)c(c1)Oc1ccc(cc1[N+]([O-])=O)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 5.0953 |
| logD: | 5.0953 |
| logSw: | -5.1928 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.448 |
| InChI Key: | ZMXYZRLJKQALBE-UHFFFAOYSA-N |