1-(2-fluoro-5-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid
Chemical Structure Depiction of
1-(2-fluoro-5-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid
1-(2-fluoro-5-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid
Compound characteristics
| Compound ID: | T640-0433 |
| Compound Name: | 1-(2-fluoro-5-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid |
| Molecular Weight: | 235.21 |
| Molecular Formula: | C11 H10 F N3 O2 |
| Smiles: | Cc1ccc(c(c1)n1c(C)c(C(O)=O)nn1)F |
| Stereo: | ACHIRAL |
| logP: | 1.3714 |
| logD: | -4.7959 |
| logSw: | -1.6592 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.189 |
| InChI Key: | HKKNZVWUSAESGJ-UHFFFAOYSA-N |