6-chloro-3-(2-oxopropylidene)-3,4-dihydro-2H-1,4-benzoxazin-2-one
Chemical Structure Depiction of
6-chloro-3-(2-oxopropylidene)-3,4-dihydro-2H-1,4-benzoxazin-2-one
6-chloro-3-(2-oxopropylidene)-3,4-dihydro-2H-1,4-benzoxazin-2-one
Compound characteristics
| Compound ID: | 5549-6065 |
| Compound Name: | 6-chloro-3-(2-oxopropylidene)-3,4-dihydro-2H-1,4-benzoxazin-2-one |
| Molecular Weight: | 237.64 |
| Molecular Formula: | C11 H8 Cl N O3 |
| Smiles: | CC(\C=C1/C(=O)Oc2ccc(cc2N1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.2842 |
| logD: | 2.0319 |
| logSw: | -3.2306 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.754 |
| InChI Key: | URQABVRPRLRTNM-UHFFFAOYSA-N |