5-ethyl-1-(3-fluoro-4-methylphenyl)-1H-1,2,3-triazole-4-carboxylic acid
Chemical Structure Depiction of
5-ethyl-1-(3-fluoro-4-methylphenyl)-1H-1,2,3-triazole-4-carboxylic acid
5-ethyl-1-(3-fluoro-4-methylphenyl)-1H-1,2,3-triazole-4-carboxylic acid
Compound characteristics
| Compound ID: | T640-0361 |
| Compound Name: | 5-ethyl-1-(3-fluoro-4-methylphenyl)-1H-1,2,3-triazole-4-carboxylic acid |
| Molecular Weight: | 249.24 |
| Molecular Formula: | C12 H12 F N3 O2 |
| Smiles: | CCc1c(C(O)=O)nnn1c1ccc(C)c(c1)F |
| Stereo: | ACHIRAL |
| logP: | 1.9915 |
| logD: | -3.8947 |
| logSw: | -2.0686 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55 |
| InChI Key: | RPJIHGBALBJCIU-UHFFFAOYSA-N |