2-chloro-4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
Chemical Structure Depiction of
2-chloro-4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
2-chloro-4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
Compound characteristics
| Compound ID: | 2817-4348 |
| Compound Name: | 2-chloro-4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid |
| Molecular Weight: | 249.69 |
| Molecular Formula: | C13 H12 Cl N O2 |
| Smiles: | Cc1ccc(C)n1c1ccc(C(O)=O)c(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.2154 |
| logD: | -0.588 |
| logSw: | -3.3422 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.5354 |
| InChI Key: | LNAUEAGSVLKUBO-UHFFFAOYSA-N |