3-(2-methyl-4-nitrophenyl)-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-(2-methyl-4-nitrophenyl)-2H-1-benzopyran-2-one
3-(2-methyl-4-nitrophenyl)-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 2081-0419 |
| Compound Name: | 3-(2-methyl-4-nitrophenyl)-2H-1-benzopyran-2-one |
| Molecular Weight: | 281.27 |
| Molecular Formula: | C16 H11 N O4 |
| Smiles: | Cc1cc(ccc1C1=Cc2ccccc2OC1=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.7607 |
| logD: | 3.7607 |
| logSw: | -4.0884 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.27 |
| InChI Key: | OBGHPOMRBVPWLM-UHFFFAOYSA-N |