[5-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-2H-tetrazol-2-yl]acetic acid
Chemical Structure Depiction of
[5-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-2H-tetrazol-2-yl]acetic acid
[5-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-2H-tetrazol-2-yl]acetic acid
Compound characteristics
| Compound ID: | 8020-2516 |
| Compound Name: | [5-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-2H-tetrazol-2-yl]acetic acid |
| Molecular Weight: | 301.1 |
| Molecular Formula: | C8 H9 Br N6 O2 |
| Smiles: | Cc1c(c(C)n(c2nnn(CC(O)=O)n2)n1)[Br] |
| Stereo: | ACHIRAL |
| logP: | -0.7482 |
| logD: | -4.3703 |
| logSw: | 0.3882 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.614 |
| InChI Key: | XOJFWPMHDNHNJM-UHFFFAOYSA-N |