methyl 3-(3-bromo-1H-1,2,4-triazol-5-yl)prop-2-enoate
Chemical Structure Depiction of
methyl 3-(3-bromo-1H-1,2,4-triazol-5-yl)prop-2-enoate
methyl 3-(3-bromo-1H-1,2,4-triazol-5-yl)prop-2-enoate
Compound characteristics
| Compound ID: | 8020-6591 |
| Compound Name: | methyl 3-(3-bromo-1H-1,2,4-triazol-5-yl)prop-2-enoate |
| Molecular Weight: | 232.03 |
| Molecular Formula: | C6 H6 Br N3 O2 |
| Smiles: | COC(/C=C\c1nc(n[nH]1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 1.1362 |
| logD: | 1.0528 |
| logSw: | -1.571 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.564 |
| InChI Key: | UKMPNKYGEMQZRP-UHFFFAOYSA-N |