7-[2,6-dinitro-4-(trifluoromethyl)phenoxy]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Chemical Structure Depiction of
7-[2,6-dinitro-4-(trifluoromethyl)phenoxy]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
7-[2,6-dinitro-4-(trifluoromethyl)phenoxy]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Compound characteristics
| Compound ID: | Y040-7323 |
| Compound Name: | 7-[2,6-dinitro-4-(trifluoromethyl)phenoxy]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one |
| Molecular Weight: | 436.3 |
| Molecular Formula: | C19 H11 F3 N2 O7 |
| Smiles: | C1CC2=C(C1)c1ccc(cc1OC2=O)Oc1c(cc(cc1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.0159 |
| logD: | 4.0159 |
| logSw: | -4.4269 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 94.529 |
| InChI Key: | GJJKIWAXKYHLLV-UHFFFAOYSA-N |