3,4,8-trimethyl-7-[2-nitro-4-(trifluoromethyl)phenoxy]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3,4,8-trimethyl-7-[2-nitro-4-(trifluoromethyl)phenoxy]-2H-1-benzopyran-2-one
3,4,8-trimethyl-7-[2-nitro-4-(trifluoromethyl)phenoxy]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-7640 |
| Compound Name: | 3,4,8-trimethyl-7-[2-nitro-4-(trifluoromethyl)phenoxy]-2H-1-benzopyran-2-one |
| Molecular Weight: | 393.32 |
| Molecular Formula: | C19 H14 F3 N O5 |
| Smiles: | CC1=C(C)c2ccc(c(C)c2OC1=O)Oc1ccc(cc1[N+]([O-])=O)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 5.0589 |
| logD: | 5.0589 |
| logSw: | -4.8894 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.846 |
| InChI Key: | JOTNYALZTXDIRD-UHFFFAOYSA-N |