6,8-dibromo-N-(3-nitrophenyl)-2-oxo-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
6,8-dibromo-N-(3-nitrophenyl)-2-oxo-2H-1-benzopyran-3-carboxamide
6,8-dibromo-N-(3-nitrophenyl)-2-oxo-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | 2222-0130 |
| Compound Name: | 6,8-dibromo-N-(3-nitrophenyl)-2-oxo-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 468.06 |
| Molecular Formula: | C16 H8 Br2 N2 O5 |
| Smiles: | C1=C(C(Nc2cccc(c2)[N+]([O-])=O)=O)C(=O)Oc2c1cc(cc2[Br])[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.6769 |
| logD: | 4.3125 |
| logSw: | -4.8435 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.317 |
| InChI Key: | QHPBYELCSLNEFD-UHFFFAOYSA-N |