1-[2,6-dinitro-4-(trifluoromethyl)phenoxy]-3-methyl-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-6-one
Chemical Structure Depiction of
1-[2,6-dinitro-4-(trifluoromethyl)phenoxy]-3-methyl-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-6-one
1-[2,6-dinitro-4-(trifluoromethyl)phenoxy]-3-methyl-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-6-one
Compound characteristics
| Compound ID: | Y040-7101 |
| Compound Name: | 1-[2,6-dinitro-4-(trifluoromethyl)phenoxy]-3-methyl-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-6-one |
| Molecular Weight: | 464.35 |
| Molecular Formula: | C21 H15 F3 N2 O7 |
| Smiles: | Cc1cc2c(C3CCCCC=3C(=O)O2)c(c1)Oc1c(cc(cc1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.6395 |
| logD: | 5.6395 |
| logSw: | -5.5778 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 94.249 |
| InChI Key: | SBFFHRYDYWUEAT-UHFFFAOYSA-N |