6,7-dichloro-1-hydroxy-2-(3-nitrophenyl)-1,4-dihydro-1,2,4-benzotriazin-3(2H)-one
Chemical Structure Depiction of
6,7-dichloro-1-hydroxy-2-(3-nitrophenyl)-1,4-dihydro-1,2,4-benzotriazin-3(2H)-one
6,7-dichloro-1-hydroxy-2-(3-nitrophenyl)-1,4-dihydro-1,2,4-benzotriazin-3(2H)-one
Compound characteristics
| Compound ID: | 3214-0075 |
| Compound Name: | 6,7-dichloro-1-hydroxy-2-(3-nitrophenyl)-1,4-dihydro-1,2,4-benzotriazin-3(2H)-one |
| Molecular Weight: | 355.13 |
| Molecular Formula: | C13 H8 Cl2 N4 O4 |
| Smiles: | c1cc(cc(c1)N1C(Nc2cc(c(cc2N1O)[Cl])[Cl])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.5704 |
| logD: | 3.273 |
| logSw: | -3.7055 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.996 |
| InChI Key: | WTWAOVGTLRTETL-UHFFFAOYSA-N |