5-methyl-1-[4-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylic acid
Chemical Structure Depiction of
5-methyl-1-[4-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylic acid
5-methyl-1-[4-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylic acid
Compound characteristics
| Compound ID: | T640-0335 |
| Compound Name: | 5-methyl-1-[4-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylic acid |
| Molecular Weight: | 271.2 |
| Molecular Formula: | C11 H8 F3 N3 O2 |
| Smiles: | Cc1c(C(O)=O)nnn1c1ccc(cc1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 1.7106 |
| logD: | -4.4568 |
| logSw: | -1.984 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.49 |
| InChI Key: | ILYMWKDTMPPUEK-UHFFFAOYSA-N |