2-(3-chloro-4-fluorophenyl)-1-hydroxy-1,4-dihydro-1,2,4-benzotriazin-3(2H)-one
Chemical Structure Depiction of
2-(3-chloro-4-fluorophenyl)-1-hydroxy-1,4-dihydro-1,2,4-benzotriazin-3(2H)-one
2-(3-chloro-4-fluorophenyl)-1-hydroxy-1,4-dihydro-1,2,4-benzotriazin-3(2H)-one
Compound characteristics
| Compound ID: | C710-0067 |
| Compound Name: | 2-(3-chloro-4-fluorophenyl)-1-hydroxy-1,4-dihydro-1,2,4-benzotriazin-3(2H)-one |
| Molecular Weight: | 293.68 |
| Molecular Formula: | C13 H9 Cl F N3 O2 |
| Smiles: | c1ccc2c(c1)NC(N(c1ccc(c(c1)[Cl])F)N2O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.863 |
| logD: | 2.7475 |
| logSw: | -3.4795 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 48.615 |
| InChI Key: | IWHRDYPBPKPWMO-UHFFFAOYSA-N |