1-(3-chloro-4-fluorophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid
Chemical Structure Depiction of
1-(3-chloro-4-fluorophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid
1-(3-chloro-4-fluorophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid
Compound characteristics
| Compound ID: | T640-0315 |
| Compound Name: | 1-(3-chloro-4-fluorophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid |
| Molecular Weight: | 255.63 |
| Molecular Formula: | C10 H7 Cl F N3 O2 |
| Smiles: | Cc1c(C(O)=O)nnn1c1ccc(c(c1)[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 1.4276 |
| logD: | -4.7397 |
| logSw: | -2.4096 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.49 |
| InChI Key: | NYUSHQHVBYUPLX-UHFFFAOYSA-N |