6-chloro-3,4-dimethyl-7-[2-(3-nitrophenyl)-2-oxoethoxy]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-chloro-3,4-dimethyl-7-[2-(3-nitrophenyl)-2-oxoethoxy]-2H-1-benzopyran-2-one
6-chloro-3,4-dimethyl-7-[2-(3-nitrophenyl)-2-oxoethoxy]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y041-1392 |
| Compound Name: | 6-chloro-3,4-dimethyl-7-[2-(3-nitrophenyl)-2-oxoethoxy]-2H-1-benzopyran-2-one |
| Molecular Weight: | 387.77 |
| Molecular Formula: | C19 H14 Cl N O6 |
| Smiles: | CC1=C(C)c2cc(c(cc2OC1=O)OCC(c1cccc(c1)[N+]([O-])=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.6526 |
| logD: | 4.6526 |
| logSw: | -4.9775 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.103 |
| InChI Key: | LMIZQSGWQWSWGW-UHFFFAOYSA-N |