3-(1,3-benzoxazol-2-yl)-1-ethylpyridin-1-ium--iodide (1/1)
Chemical Structure Depiction of
3-(1,3-benzoxazol-2-yl)-1-ethylpyridin-1-ium--iodide (1/1)
3-(1,3-benzoxazol-2-yl)-1-ethylpyridin-1-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 0136-0232 |
| Compound Name: | 3-(1,3-benzoxazol-2-yl)-1-ethylpyridin-1-ium--iodide (1/1) |
| Molecular Weight: | 352.17 |
| Molecular Formula: | C14 H13 N2 O |
| Salt: | I- |
| Smiles: | CC[n+]1cccc(c1)c1nc2ccccc2o1 |
| Stereo: | ACHIRAL |
| logP: | 3.0309 |
| logD: | 3.0309 |
| logSw: | -2.7641 |
| Hydrogen bond acceptors count: | 2 |
| Polar surface area: | 19.7306 |
| InChI Key: | BNNQBZRXINCXOF-UHFFFAOYSA-N |