5-[2-(2-chloro-6-fluorophenyl)ethenyl]-3-methyl-4-nitro-1,2-oxazole
Chemical Structure Depiction of
5-[2-(2-chloro-6-fluorophenyl)ethenyl]-3-methyl-4-nitro-1,2-oxazole
5-[2-(2-chloro-6-fluorophenyl)ethenyl]-3-methyl-4-nitro-1,2-oxazole
Compound characteristics
| Compound ID: | 8018-1274 |
| Compound Name: | 5-[2-(2-chloro-6-fluorophenyl)ethenyl]-3-methyl-4-nitro-1,2-oxazole |
| Molecular Weight: | 282.66 |
| Molecular Formula: | C12 H8 Cl F N2 O3 |
| Smiles: | Cc1c(c(/C=C/c2c(cccc2[Cl])F)on1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.3256 |
| logD: | 3.3256 |
| logSw: | -3.7378 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 54.534 |
| InChI Key: | XXJALFYXTKNCQR-UHFFFAOYSA-N |