1-(3-chloro-4-methoxyphenyl)-5-(methoxymethyl)-1H-1,2,3-triazole-4-carboxylic acid
Chemical Structure Depiction of
1-(3-chloro-4-methoxyphenyl)-5-(methoxymethyl)-1H-1,2,3-triazole-4-carboxylic acid
1-(3-chloro-4-methoxyphenyl)-5-(methoxymethyl)-1H-1,2,3-triazole-4-carboxylic acid
Compound characteristics
| Compound ID: | T640-0393 |
| Compound Name: | 1-(3-chloro-4-methoxyphenyl)-5-(methoxymethyl)-1H-1,2,3-triazole-4-carboxylic acid |
| Molecular Weight: | 297.7 |
| Molecular Formula: | C12 H12 Cl N3 O4 |
| Smiles: | COCc1c(C(O)=O)nnn1c1ccc(c(c1)[Cl])OC |
| Stereo: | ACHIRAL |
| logP: | 0.913 |
| logD: | -6.1612 |
| logSw: | -2.3373 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.054 |
| InChI Key: | FWGNDIWFJOIBOI-UHFFFAOYSA-N |