5-methyl-1-{[3-(trifluoromethyl)phenyl]methyl}-1H-1,2,3-triazole-4-carboxylic acid
Chemical Structure Depiction of
5-methyl-1-{[3-(trifluoromethyl)phenyl]methyl}-1H-1,2,3-triazole-4-carboxylic acid
5-methyl-1-{[3-(trifluoromethyl)phenyl]methyl}-1H-1,2,3-triazole-4-carboxylic acid
Compound characteristics
| Compound ID: | T640-0578 |
| Compound Name: | 5-methyl-1-{[3-(trifluoromethyl)phenyl]methyl}-1H-1,2,3-triazole-4-carboxylic acid |
| Molecular Weight: | 285.22 |
| Molecular Formula: | C12 H10 F3 N3 O2 |
| Smiles: | Cc1c(C(O)=O)nnn1Cc1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 1.4872 |
| logD: | -2.5896 |
| logSw: | -1.6482 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.353 |
| InChI Key: | IRUOFBLTMRMLQR-UHFFFAOYSA-N |