4-butyl-6-chloro-7-[(4-nitrophenyl)methoxy]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-butyl-6-chloro-7-[(4-nitrophenyl)methoxy]-2H-1-benzopyran-2-one
4-butyl-6-chloro-7-[(4-nitrophenyl)methoxy]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-7602 |
| Compound Name: | 4-butyl-6-chloro-7-[(4-nitrophenyl)methoxy]-2H-1-benzopyran-2-one |
| Molecular Weight: | 387.82 |
| Molecular Formula: | C20 H18 Cl N O5 |
| Smiles: | CCCCC1=CC(=O)Oc2cc(c(cc12)[Cl])OCc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.8176 |
| logD: | 5.8176 |
| logSw: | -5.9683 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.341 |
| InChI Key: | KTIORIOKLNTGOQ-UHFFFAOYSA-N |