2-(4-bromo-1H-pyrazol-1-yl)-4-(1H-tetrazol-1-yl)benzoic acid
Chemical Structure Depiction of
2-(4-bromo-1H-pyrazol-1-yl)-4-(1H-tetrazol-1-yl)benzoic acid
2-(4-bromo-1H-pyrazol-1-yl)-4-(1H-tetrazol-1-yl)benzoic acid
Compound characteristics
| Compound ID: | 8019-8636 |
| Compound Name: | 2-(4-bromo-1H-pyrazol-1-yl)-4-(1H-tetrazol-1-yl)benzoic acid |
| Molecular Weight: | 335.12 |
| Molecular Formula: | C11 H7 Br N6 O2 |
| Smiles: | c1cc(C(O)=O)c(cc1n1cnnn1)n1cc(cn1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 1.9313 |
| logD: | -2.2939 |
| logSw: | -2.345 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.469 |
| InChI Key: | LFYMQZOAEBPKFN-UHFFFAOYSA-N |