3-(4-chlorophenyl)-5-[(methoxycarbonyl)imino]-4,5-dihydro-1,2,3-oxadiazol-3-ium-4-ide
Chemical Structure Depiction of
3-(4-chlorophenyl)-5-[(methoxycarbonyl)imino]-4,5-dihydro-1,2,3-oxadiazol-3-ium-4-ide
3-(4-chlorophenyl)-5-[(methoxycarbonyl)imino]-4,5-dihydro-1,2,3-oxadiazol-3-ium-4-ide
Compound characteristics
| Compound ID: | 8015-2256 |
| Compound Name: | 3-(4-chlorophenyl)-5-[(methoxycarbonyl)imino]-4,5-dihydro-1,2,3-oxadiazol-3-ium-4-ide |
| Molecular Weight: | 253.64 |
| Molecular Formula: | C10 H8 Cl N3 O3 |
| Smiles: | COC(/N=C1\[C-][N+](c2ccc(cc2)[Cl])=NO1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5721 |
| logD: | 1.572 |
| logSw: | -2.3867 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 60.404 |
| InChI Key: | OJPGNBLEKYCLBE-UHFFFAOYSA-N |