4-{[2-nitro-4-(trifluoromethyl)phenoxy]methyl}-1,3,2lambda~4~-dioxathiolan-2-one
Chemical Structure Depiction of
4-{[2-nitro-4-(trifluoromethyl)phenoxy]methyl}-1,3,2lambda~4~-dioxathiolan-2-one
4-{[2-nitro-4-(trifluoromethyl)phenoxy]methyl}-1,3,2lambda~4~-dioxathiolan-2-one
Compound characteristics
| Compound ID: | 3186-0503 |
| Compound Name: | 4-{[2-nitro-4-(trifluoromethyl)phenoxy]methyl}-1,3,2lambda~4~-dioxathiolan-2-one |
| Molecular Weight: | 327.23 |
| Molecular Formula: | C10 H8 F3 N O6 S |
| Smiles: | C(C1COS(=O)O1)Oc1ccc(cc1[N+]([O-])=O)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.905 |
| logD: | 1.905 |
| logSw: | -2.6615 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 70.308 |
| InChI Key: | KQTDGSBKALVCFI-UHFFFAOYSA-N |