2-(4-chloro-3-nitrophenyl)-1-hydroxy-1,4-dihydro-1,2,4-benzotriazin-3(2H)-one
Chemical Structure Depiction of
2-(4-chloro-3-nitrophenyl)-1-hydroxy-1,4-dihydro-1,2,4-benzotriazin-3(2H)-one
2-(4-chloro-3-nitrophenyl)-1-hydroxy-1,4-dihydro-1,2,4-benzotriazin-3(2H)-one
Compound characteristics
| Compound ID: | 3214-0003 |
| Compound Name: | 2-(4-chloro-3-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(c(c1)[N+]([O-])=O)[Cl])N2O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5514 |
| logD: | 2.4359 |
| logSw: | -3.419 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.696 |
| InChI Key: | WRWXEKQBGPDCFH-UHFFFAOYSA-N |