4-chloro-2-(4H-1,2,4-triazol-4-yl)benzoic acid
Chemical Structure Depiction of
4-chloro-2-(4H-1,2,4-triazol-4-yl)benzoic acid
4-chloro-2-(4H-1,2,4-triazol-4-yl)benzoic acid
Compound characteristics
| Compound ID: | 8020-2325 |
| Compound Name: | 4-chloro-2-(4H-1,2,4-triazol-4-yl)benzoic acid |
| Molecular Weight: | 223.62 |
| Molecular Formula: | C9 H6 Cl N3 O2 |
| Smiles: | c1cc(C(O)=O)c(cc1[Cl])n1cnnc1 |
| Stereo: | ACHIRAL |
| logP: | 1.6158 |
| logD: | -0.7494 |
| logSw: | -2.4907 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.377 |
| InChI Key: | DSTSETFZHGAIID-UHFFFAOYSA-N |