4-chloro-3-(2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
Chemical Structure Depiction of
4-chloro-3-(2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
4-chloro-3-(2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
Compound characteristics
| Compound ID: | 2817-4347 |
| Compound Name: | 4-chloro-3-(2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid |
| Molecular Weight: | 249.69 |
| Molecular Formula: | C13 H12 Cl N O2 |
| Smiles: | Cc1ccc(C)n1c1cc(ccc1[Cl])C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3756 |
| logD: | -1.1152 |
| logSw: | -3.5764 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.2345 |
| InChI Key: | RDTROARYSPBJMT-UHFFFAOYSA-N |