1-(3-chlorophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxylic acid
Chemical Structure Depiction of
1-(3-chlorophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxylic acid
1-(3-chlorophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxylic acid
Compound characteristics
| Compound ID: | 8020-1847 |
| Compound Name: | 1-(3-chlorophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxylic acid |
| Molecular Weight: | 237.64 |
| Molecular Formula: | C10 H8 Cl N3 O2 |
| Smiles: | Cc1nc(C(O)=O)nn1c1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 1.7217 |
| logD: | -3.8301 |
| logSw: | -2.2732 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.346 |
| InChI Key: | IXVDFYBOWMWBNA-UHFFFAOYSA-N |