methyl 4-(3-chloro-2-methylanilino)-4-oxobutanoate
Chemical Structure Depiction of
methyl 4-(3-chloro-2-methylanilino)-4-oxobutanoate
methyl 4-(3-chloro-2-methylanilino)-4-oxobutanoate
Compound characteristics
| Compound ID: | 8003-9263 |
| Compound Name: | methyl 4-(3-chloro-2-methylanilino)-4-oxobutanoate |
| Molecular Weight: | 255.7 |
| Molecular Formula: | C12 H14 Cl N O3 |
| Smiles: | Cc1c(cccc1[Cl])NC(CCC(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1584 |
| logD: | 2.1579 |
| logSw: | -2.7708 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.269 |
| InChI Key: | BDHNYHOVLQBBOM-UHFFFAOYSA-N |