ethyl 4-acetyl-5-(chloromethyl)-3-methyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-acetyl-5-(chloromethyl)-3-methyl-1H-pyrrole-2-carboxylate
ethyl 4-acetyl-5-(chloromethyl)-3-methyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | 8009-1562 |
| Compound Name: | ethyl 4-acetyl-5-(chloromethyl)-3-methyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 243.69 |
| Molecular Formula: | C11 H14 Cl N O3 |
| Smiles: | CCOC(c1c(C)c(C(C)=O)c(C[Cl])[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7812 |
| logD: | 1.7812 |
| logSw: | -1.8361 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.489 |
| InChI Key: | JHSUKDARMKBUFX-UHFFFAOYSA-N |