3-bromo-1-[2-(4-methoxyphenyl)-2-oxoethyl]pyridin-1-ium--bromide (1/1)
Chemical Structure Depiction of
3-bromo-1-[2-(4-methoxyphenyl)-2-oxoethyl]pyridin-1-ium--bromide (1/1)
3-bromo-1-[2-(4-methoxyphenyl)-2-oxoethyl]pyridin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 0327-0035 |
| Compound Name: | 3-bromo-1-[2-(4-methoxyphenyl)-2-oxoethyl]pyridin-1-ium--bromide (1/1) |
| Molecular Weight: | 387.07 |
| Molecular Formula: | C14 H13 Br N O2 |
| Salt: | Br- |
| Smiles: | COc1ccc(cc1)C(C[n+]1cccc(c1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 2.9458 |
| logD: | 2.9458 |
| logSw: | -3.0405 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 23.7148 |
| InChI Key: | QKOHDTUYTWQQLO-UHFFFAOYSA-N |