6-chloro-7-[(4-nitrophenyl)methoxy]-4-propyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-chloro-7-[(4-nitrophenyl)methoxy]-4-propyl-2H-1-benzopyran-2-one
6-chloro-7-[(4-nitrophenyl)methoxy]-4-propyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-6662 |
| Compound Name: | 6-chloro-7-[(4-nitrophenyl)methoxy]-4-propyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 373.79 |
| Molecular Formula: | C19 H16 Cl N O5 |
| Smiles: | CCCC1=CC(=O)Oc2cc(c(cc12)[Cl])OCc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.3375 |
| logD: | 5.3375 |
| logSw: | -6.0197 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.341 |
| InChI Key: | FWXQJNKEASGINE-UHFFFAOYSA-N |