2-(2-chloro-5-nitrophenyl)-6-iodo-4H-3,1-benzoxazin-4-one
Chemical Structure Depiction of
2-(2-chloro-5-nitrophenyl)-6-iodo-4H-3,1-benzoxazin-4-one
2-(2-chloro-5-nitrophenyl)-6-iodo-4H-3,1-benzoxazin-4-one
Compound characteristics
| Compound ID: | 3226-1946 |
| Compound Name: | 2-(2-chloro-5-nitrophenyl)-6-iodo-4H-3,1-benzoxazin-4-one |
| Molecular Weight: | 428.57 |
| Molecular Formula: | C14 H6 Cl I N2 O4 |
| Smiles: | c1cc(c(cc1[N+]([O-])=O)C1=Nc2ccc(cc2C(=O)O1)I)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.619 |
| logD: | 4.619 |
| logSw: | -4.9517 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.567 |
| InChI Key: | QETRTYFZTIXANH-UHFFFAOYSA-N |