4-(6-chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanenitrile
Chemical Structure Depiction of
4-(6-chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanenitrile
4-(6-chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanenitrile
Compound characteristics
| Compound ID: | 8018-1279 |
| Compound Name: | 4-(6-chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanenitrile |
| Molecular Weight: | 250.68 |
| Molecular Formula: | C12 H11 Cl N2 O2 |
| Smiles: | C(CC#N)CN1C(COc2ccc(cc12)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 0.8514 |
| logD: | 0.8514 |
| logSw: | -2.2657 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 41.81 |
| InChI Key: | UVJOBGGTCQVNCH-UHFFFAOYSA-N |