1-(3-fluoro-4-methylphenyl)-5-(methoxymethyl)-1H-1,2,3-triazole-4-carboxylic acid
Chemical Structure Depiction of
1-(3-fluoro-4-methylphenyl)-5-(methoxymethyl)-1H-1,2,3-triazole-4-carboxylic acid
1-(3-fluoro-4-methylphenyl)-5-(methoxymethyl)-1H-1,2,3-triazole-4-carboxylic acid
Compound characteristics
| Compound ID: | T640-0363 |
| Compound Name: | 1-(3-fluoro-4-methylphenyl)-5-(methoxymethyl)-1H-1,2,3-triazole-4-carboxylic acid |
| Molecular Weight: | 265.24 |
| Molecular Formula: | C12 H12 F N3 O3 |
| Smiles: | Cc1ccc(cc1F)n1c(COC)c(C(O)=O)nn1 |
| Stereo: | ACHIRAL |
| logP: | 1.1989 |
| logD: | -5.8754 |
| logSw: | -1.8178 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.424 |
| InChI Key: | XJWFSHVLCWHIKK-UHFFFAOYSA-N |