2-(2-chloro-4-nitrophenyl)-1-hydroxy-1,4-dihydro-1,2,4-benzotriazin-3(2H)-one
Chemical Structure Depiction of
2-(2-chloro-4-nitrophenyl)-1-hydroxy-1,4-dihydro-1,2,4-benzotriazin-3(2H)-one
2-(2-chloro-4-nitrophenyl)-1-hydroxy-1,4-dihydro-1,2,4-benzotriazin-3(2H)-one
Compound characteristics
| Compound ID: | 3214-0001 |
| Compound Name: | 2-(2-chloro-4-nitrophenyl)-1-hydroxy-1,4-dihydro-1,2,4-benzotriazin-3(2H)-one |
| Molecular Weight: | 320.69 |
| Molecular Formula: | C13 H9 Cl N4 O4 |
| Smiles: | c1ccc2c(c1)NC(N(c1ccc(cc1[Cl])[N+]([O-])=O)N2O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.702 |
| logD: | 2.5865 |
| logSw: | -3.4671 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.696 |
| InChI Key: | HMLSHJDWTMZFHY-UHFFFAOYSA-N |