3-(3-bromo-1H-1,2,4-triazol-1-yl)propanoic acid
Chemical Structure Depiction of
3-(3-bromo-1H-1,2,4-triazol-1-yl)propanoic acid
3-(3-bromo-1H-1,2,4-triazol-1-yl)propanoic acid
Compound characteristics
| Compound ID: | Y507-1142 |
| Compound Name: | 3-(3-bromo-1H-1,2,4-triazol-1-yl)propanoic acid |
| Molecular Weight: | 220.02 |
| Molecular Formula: | C5 H6 Br N3 O2 |
| Smiles: | C(Cn1cnc(n1)[Br])C(O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.5735 |
| logD: | -3.4066 |
| logSw: | -0.5748 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.66 |
| InChI Key: | TXEJOIFLPSSUNA-UHFFFAOYSA-N |