N-(2-chloro-5-nitrophenyl)-1-oxo-1H-2-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-(2-chloro-5-nitrophenyl)-1-oxo-1H-2-benzopyran-3-carboxamide
N-(2-chloro-5-nitrophenyl)-1-oxo-1H-2-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | 6049-1163 |
| Compound Name: | N-(2-chloro-5-nitrophenyl)-1-oxo-1H-2-benzopyran-3-carboxamide |
| Molecular Weight: | 344.71 |
| Molecular Formula: | C16 H9 Cl N2 O5 |
| Smiles: | C1=C(C(Nc2cc(ccc2[Cl])[N+]([O-])=O)=O)OC(c2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4167 |
| logD: | 2.35 |
| logSw: | -4.0261 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.42 |
| InChI Key: | AFLHKFRCGRBAIS-UHFFFAOYSA-N |