3-[2,6-dinitro-4-(trifluoromethyl)phenoxy]-4-methyl-6H-dibenzo[b,d]pyran-6-one
Chemical Structure Depiction of
3-[2,6-dinitro-4-(trifluoromethyl)phenoxy]-4-methyl-6H-dibenzo[b,d]pyran-6-one
3-[2,6-dinitro-4-(trifluoromethyl)phenoxy]-4-methyl-6H-dibenzo[b,d]pyran-6-one
Compound characteristics
| Compound ID: | Y040-6964 |
| Compound Name: | 3-[2,6-dinitro-4-(trifluoromethyl)phenoxy]-4-methyl-6H-dibenzo[b,d]pyran-6-one |
| Molecular Weight: | 460.32 |
| Molecular Formula: | C21 H11 F3 N2 O7 |
| Smiles: | Cc1c(ccc2c3ccccc3C(=O)Oc12)Oc1c(cc(cc1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.9275 |
| logD: | 4.9275 |
| logSw: | -5.2381 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 93.742 |
| InChI Key: | FXQHINYLEWSQFO-UHFFFAOYSA-N |