3-[2,6-dinitro-4-(trifluoromethyl)phenoxy]-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-6-one
Chemical Structure Depiction of
3-[2,6-dinitro-4-(trifluoromethyl)phenoxy]-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-6-one
3-[2,6-dinitro-4-(trifluoromethyl)phenoxy]-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-6-one
Compound characteristics
| Compound ID: | Y040-7847 |
| Compound Name: | 3-[2,6-dinitro-4-(trifluoromethyl)phenoxy]-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-6-one |
| Molecular Weight: | 450.33 |
| Molecular Formula: | C20 H13 F3 N2 O7 |
| Smiles: | C1CCC2=C(C1)C(=O)Oc1cc(ccc12)Oc1c(cc(cc1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.8132 |
| logD: | 4.8132 |
| logSw: | -4.9009 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 94.163 |
| InChI Key: | BLHVSLNMKSONKB-UHFFFAOYSA-N |