methyl (7-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene)acetate
Chemical Structure Depiction of
methyl (7-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene)acetate
methyl (7-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene)acetate
Compound characteristics
| Compound ID: | Y021-3069 |
| Compound Name: | methyl (7-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene)acetate |
| Molecular Weight: | 253.64 |
| Molecular Formula: | C11 H8 Cl N O4 |
| Smiles: | COC(\C=C1/C(Nc2ccc(cc2O1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3684 |
| logD: | 2.3544 |
| logSw: | -3.3238 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.658 |
| InChI Key: | GNWOJSQUTUMOHN-UHFFFAOYSA-N |