3-(4-bromo-3-nitro-1H-pyrazol-1-yl)propanoic acid
Chemical Structure Depiction of
3-(4-bromo-3-nitro-1H-pyrazol-1-yl)propanoic acid
3-(4-bromo-3-nitro-1H-pyrazol-1-yl)propanoic acid
Compound characteristics
| Compound ID: | Y504-8556 |
| Compound Name: | 3-(4-bromo-3-nitro-1H-pyrazol-1-yl)propanoic acid |
| Molecular Weight: | 264.03 |
| Molecular Formula: | C6 H6 Br N3 O4 |
| Smiles: | C(Cn1cc(c(n1)[N+]([O-])=O)[Br])C(O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.1358 |
| logD: | -2.9561 |
| logSw: | -0.6092 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.468 |
| InChI Key: | ZZMXTQHEZQCMRL-UHFFFAOYSA-N |