8-acetyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl 4-chloro-2-nitrobenzoate
Chemical Structure Depiction of
8-acetyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl 4-chloro-2-nitrobenzoate
8-acetyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl 4-chloro-2-nitrobenzoate
Compound characteristics
| Compound ID: | 3130-0006 |
| Compound Name: | 8-acetyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl 4-chloro-2-nitrobenzoate |
| Molecular Weight: | 401.76 |
| Molecular Formula: | C19 H12 Cl N O7 |
| Smiles: | CC1=CC(=O)Oc2c1ccc(c2C(C)=O)OC(c1ccc(cc1[N+]([O-])=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.445 |
| logD: | 3.445 |
| logSw: | -4.4186 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 87.702 |
| InChI Key: | JZMIBUKZWGPHFL-UHFFFAOYSA-N |