1-(3-chloro-4-fluorophenyl)-1H-1,2,3-triazole-4-carboxylic acid
Chemical Structure Depiction of
1-(3-chloro-4-fluorophenyl)-1H-1,2,3-triazole-4-carboxylic acid
1-(3-chloro-4-fluorophenyl)-1H-1,2,3-triazole-4-carboxylic acid
Compound characteristics
| Compound ID: | T640-0314 |
| Compound Name: | 1-(3-chloro-4-fluorophenyl)-1H-1,2,3-triazole-4-carboxylic acid |
| Molecular Weight: | 241.61 |
| Molecular Formula: | C9 H5 Cl F N3 O2 |
| Smiles: | c1cc(c(cc1n1cc(C(O)=O)nn1)[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 1.5156 |
| logD: | -4.6747 |
| logSw: | -2.4056 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.012 |
| InChI Key: | KNUIJMYOWVCLNT-UHFFFAOYSA-N |