6-chloro-4-methyl-7-[2-(3-nitrophenyl)-2-oxoethoxy]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-chloro-4-methyl-7-[2-(3-nitrophenyl)-2-oxoethoxy]-2H-1-benzopyran-2-one
6-chloro-4-methyl-7-[2-(3-nitrophenyl)-2-oxoethoxy]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y041-2035 |
| Compound Name: | 6-chloro-4-methyl-7-[2-(3-nitrophenyl)-2-oxoethoxy]-2H-1-benzopyran-2-one |
| Molecular Weight: | 373.75 |
| Molecular Formula: | C18 H12 Cl N O6 |
| Smiles: | CC1=CC(=O)Oc2cc(c(cc12)[Cl])OCC(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0645 |
| logD: | 4.0645 |
| logSw: | -4.5046 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.588 |
| InChI Key: | UURKGDOIKLPWIN-UHFFFAOYSA-N |