1-(3-chloro-4-methoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid
Chemical Structure Depiction of
1-(3-chloro-4-methoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid
1-(3-chloro-4-methoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid
Compound characteristics
| Compound ID: | C200-6444 |
| Compound Name: | 1-(3-chloro-4-methoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid |
| Molecular Weight: | 267.67 |
| Molecular Formula: | C11 H10 Cl N3 O3 |
| Smiles: | Cc1c(C(O)=O)nnn1c1ccc(c(c1)[Cl])OC |
| Stereo: | ACHIRAL |
| logP: | 1.2081 |
| logD: | -4.9592 |
| logSw: | -2.441 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.12 |
| InChI Key: | CMSQWJTXFVHHFJ-UHFFFAOYSA-N |