4,5,6-trichloro-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
4,5,6-trichloro-1,3-benzoxazol-2(3H)-one
4,5,6-trichloro-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | Y501-2024 |
| Compound Name: | 4,5,6-trichloro-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 238.45 |
| Molecular Formula: | C7 H2 Cl3 N O2 |
| Smiles: | c1c2c(c(c(c1[Cl])[Cl])[Cl])NC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 2.9821 |
| logD: | 0.5215 |
| logSw: | -3.9638 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.4041 |
| InChI Key: | OOXHZCGBJSGVTN-UHFFFAOYSA-N |