2-chloro-6-(4H-1,2,4-triazol-4-yl)benzoic acid
Chemical Structure Depiction of
2-chloro-6-(4H-1,2,4-triazol-4-yl)benzoic acid
2-chloro-6-(4H-1,2,4-triazol-4-yl)benzoic acid
Compound characteristics
| Compound ID: | 8020-2729 |
| Compound Name: | 2-chloro-6-(4H-1,2,4-triazol-4-yl)benzoic acid |
| Molecular Weight: | 223.62 |
| Molecular Formula: | C9 H6 Cl N3 O2 |
| Smiles: | c1cc(c(C(O)=O)c(c1)[Cl])n1cnnc1 |
| Stereo: | ACHIRAL |
| logP: | 1.0415 |
| logD: | -2.381 |
| logSw: | -2.2224 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.377 |
| InChI Key: | OMZYVXNFZJKXPR-UHFFFAOYSA-N |