4-methyl-3-[2-nitro-4-(trifluoromethyl)phenoxy]-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-6-one
Chemical Structure Depiction of
4-methyl-3-[2-nitro-4-(trifluoromethyl)phenoxy]-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-6-one
4-methyl-3-[2-nitro-4-(trifluoromethyl)phenoxy]-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-6-one
Compound characteristics
| Compound ID: | 2279-5814 |
| Compound Name: | 4-methyl-3-[2-nitro-4-(trifluoromethyl)phenoxy]-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-6-one |
| Molecular Weight: | 419.36 |
| Molecular Formula: | C21 H16 F3 N O5 |
| Smiles: | Cc1c(ccc2C3CCCCC=3C(=O)Oc12)Oc1ccc(cc1[N+]([O-])=O)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 5.6775 |
| logD: | 5.6775 |
| logSw: | -5.5128 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.767 |
| InChI Key: | YPQURCWTYUQPBV-UHFFFAOYSA-N |