(3-bromo-1H-1,2,4-triazol-1-yl)acetic acid
Chemical Structure Depiction of
(3-bromo-1H-1,2,4-triazol-1-yl)acetic acid
(3-bromo-1H-1,2,4-triazol-1-yl)acetic acid
Compound characteristics
| Compound ID: | Y507-1082 |
| Compound Name: | (3-bromo-1H-1,2,4-triazol-1-yl)acetic acid |
| Molecular Weight: | 205.99 |
| Molecular Formula: | C4 H4 Br N3 O2 |
| Smiles: | C(C(O)=O)n1cnc(n1)[Br] |
| Stereo: | ACHIRAL |
| logP: | -0.8948 |
| logD: | -4.4483 |
| logSw: | -0.5312 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.681 |
| InChI Key: | TYKYXRSIWMDNCQ-UHFFFAOYSA-N |