1,3-diethyl-6-fluoro-2-methyl-1H-benzimidazol-3-ium--4-methylbenzene-1-sulfonate (1/1)
Chemical Structure Depiction of
1,3-diethyl-6-fluoro-2-methyl-1H-benzimidazol-3-ium--4-methylbenzene-1-sulfonate (1/1)
1,3-diethyl-6-fluoro-2-methyl-1H-benzimidazol-3-ium--4-methylbenzene-1-sulfonate (1/1)
Compound characteristics
| Compound ID: | 8013-2299 |
| Compound Name: | 1,3-diethyl-6-fluoro-2-methyl-1H-benzimidazol-3-ium--4-methylbenzene-1-sulfonate (1/1) |
| Molecular Weight: | 378.47 |
| Molecular Formula: | C12 H16 F N2 |
| Salt: | p-CH3C6H4SO3- |
| Smiles: | CCn1c2cc(ccc2[n+](CC)c1C)F |
| Stereo: | ACHIRAL |
| logP: | 2.9406 |
| logD: | 2.9406 |
| logSw: | -2.8745 |
| Polar surface area: | 3.5638 |
| InChI Key: | KRRYQIDCIOCJHM-UHFFFAOYSA-N |