4-bromo-1-methyl-1H-pyrazole-3-carboxylic acid
Chemical Structure Depiction of
4-bromo-1-methyl-1H-pyrazole-3-carboxylic acid
4-bromo-1-methyl-1H-pyrazole-3-carboxylic acid
Compound characteristics
| Compound ID: | 8009-8303 |
| Compound Name: | 4-bromo-1-methyl-1H-pyrazole-3-carboxylic acid |
| Molecular Weight: | 205.01 |
| Molecular Formula: | C5 H5 Br N2 O2 |
| Smiles: | Cn1cc(c(C(O)=O)n1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 0.0876 |
| logD: | -4.0553 |
| logSw: | 0.024 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.002 |
| InChI Key: | LEEPGDCCHVRYHK-UHFFFAOYSA-N |