3-[(2-chloroanilino)methyl]-6-nitro-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
3-[(2-chloroanilino)methyl]-6-nitro-1,3-benzoxazol-2(3H)-one
3-[(2-chloroanilino)methyl]-6-nitro-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | 8006-9822 |
| Compound Name: | 3-[(2-chloroanilino)methyl]-6-nitro-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 319.7 |
| Molecular Formula: | C14 H10 Cl N3 O4 |
| Smiles: | C(Nc1ccccc1[Cl])N1C(=O)Oc2cc(ccc12)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.3797 |
| logD: | 3.3797 |
| logSw: | -3.723 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.91 |
| InChI Key: | KBQYNASGDCBWSE-UHFFFAOYSA-N |