1-[(3-bromophenyl)methyl]-1H-pyrazole-4-carboxylic acid
Chemical Structure Depiction of
1-[(3-bromophenyl)methyl]-1H-pyrazole-4-carboxylic acid
1-[(3-bromophenyl)methyl]-1H-pyrazole-4-carboxylic acid
Compound characteristics
| Compound ID: | Y507-1378 |
| Compound Name: | 1-[(3-bromophenyl)methyl]-1H-pyrazole-4-carboxylic acid |
| Molecular Weight: | 281.11 |
| Molecular Formula: | C11 H9 Br N2 O2 |
| Smiles: | C(c1cccc(c1)[Br])n1cc(cn1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3748 |
| logD: | -0.475 |
| logSw: | -2.2764 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.152 |
| InChI Key: | PHIKZQZADWDNII-UHFFFAOYSA-N |