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 |