4-ethyl-7-[2-nitro-4-(trifluoromethyl)phenoxy]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-ethyl-7-[2-nitro-4-(trifluoromethyl)phenoxy]-2H-1-benzopyran-2-one
4-ethyl-7-[2-nitro-4-(trifluoromethyl)phenoxy]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-7309 |
| Compound Name: | 4-ethyl-7-[2-nitro-4-(trifluoromethyl)phenoxy]-2H-1-benzopyran-2-one |
| Molecular Weight: | 379.29 |
| Molecular Formula: | C18 H12 F3 N O5 |
| Smiles: | CCC1=CC(=O)Oc2cc(ccc12)Oc1ccc(cc1[N+]([O-])=O)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 4.2749 |
| logD: | 4.2749 |
| logSw: | -4.4733 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.561 |
| InChI Key: | RRASUSYYJJAIGV-UHFFFAOYSA-N |