4-(2,4-dichloro-5-nitrophenyl)-2-oxo-2H-1-benzopyran-7-yl acetate
Chemical Structure Depiction of
4-(2,4-dichloro-5-nitrophenyl)-2-oxo-2H-1-benzopyran-7-yl acetate
4-(2,4-dichloro-5-nitrophenyl)-2-oxo-2H-1-benzopyran-7-yl acetate
Compound characteristics
| Compound ID: | 3448-8895 |
| Compound Name: | 4-(2,4-dichloro-5-nitrophenyl)-2-oxo-2H-1-benzopyran-7-yl acetate |
| Molecular Weight: | 394.17 |
| Molecular Formula: | C17 H9 Cl2 N O6 |
| Smiles: | CC(=O)Oc1ccc2C(=CC(=O)Oc2c1)c1cc(c(cc1[Cl])[Cl])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.5078 |
| logD: | 3.5078 |
| logSw: | -4.2311 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.206 |
| InChI Key: | WTYBOFZATCKTQO-UHFFFAOYSA-N |