1-[(2-chlorophenyl)methyl]-1H-1,2,3-triazole-4,5-dicarboxylic acid
Chemical Structure Depiction of
1-[(2-chlorophenyl)methyl]-1H-1,2,3-triazole-4,5-dicarboxylic acid
1-[(2-chlorophenyl)methyl]-1H-1,2,3-triazole-4,5-dicarboxylic acid
Compound characteristics
| Compound ID: | C200-2427 |
| Compound Name: | 1-[(2-chlorophenyl)methyl]-1H-1,2,3-triazole-4,5-dicarboxylic acid |
| Molecular Weight: | 281.65 |
| Molecular Formula: | C11 H8 Cl N3 O4 |
| Smiles: | C(c1ccccc1[Cl])n1c(C(O)=O)c(C(O)=O)nn1 |
| Stereo: | ACHIRAL |
| logP: | 0.4527 |
| logD: | -5.9517 |
| logSw: | -1.9715 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.791 |
| InChI Key: | XZNBAVKSWGUWBQ-UHFFFAOYSA-N |