butyl 3-(2,4-dinitroanilino)benzoate
Chemical Structure Depiction of
butyl 3-(2,4-dinitroanilino)benzoate
butyl 3-(2,4-dinitroanilino)benzoate
Compound characteristics
| Compound ID: | 0584-0083 |
| Compound Name: | butyl 3-(2,4-dinitroanilino)benzoate |
| Molecular Weight: | 359.34 |
| Molecular Formula: | C17 H17 N3 O6 |
| Smiles: | CCCCOC(c1cccc(c1)Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8253 |
| logD: | 5.8253 |
| logSw: | -5.4068 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.963 |
| InChI Key: | QJUSXSFPMRMORP-UHFFFAOYSA-N |