methyl 4-(2-nitroanilino)-4-oxobutanoate
Chemical Structure Depiction of
methyl 4-(2-nitroanilino)-4-oxobutanoate
methyl 4-(2-nitroanilino)-4-oxobutanoate
Compound characteristics
| Compound ID: | 2664-4265 |
| Compound Name: | methyl 4-(2-nitroanilino)-4-oxobutanoate |
| Molecular Weight: | 252.22 |
| Molecular Formula: | C11 H12 N2 O5 |
| Smiles: | COC(CCC(Nc1ccccc1[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0974 |
| logD: | 1.0707 |
| logSw: | -2.1757 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.349 |
| InChI Key: | RQZHHQQATAKKER-UHFFFAOYSA-N |