2-(4-bromo-2-fluorophenyl)-1-hydroxy-1,4-dihydro-1,2,4-benzotriazin-3(2H)-one
Chemical Structure Depiction of
2-(4-bromo-2-fluorophenyl)-1-hydroxy-1,4-dihydro-1,2,4-benzotriazin-3(2H)-one
2-(4-bromo-2-fluorophenyl)-1-hydroxy-1,4-dihydro-1,2,4-benzotriazin-3(2H)-one
Compound characteristics
| Compound ID: | 3214-0011 |
| Compound Name: | 2-(4-bromo-2-fluorophenyl)-1-hydroxy-1,4-dihydro-1,2,4-benzotriazin-3(2H)-one |
| Molecular Weight: | 338.13 |
| Molecular Formula: | C13 H9 Br F N3 O2 |
| Smiles: | c1ccc2c(c1)NC(N(c1ccc(cc1F)[Br])N2O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0384 |
| logD: | 2.9229 |
| logSw: | -3.4666 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 48.314 |
| InChI Key: | WBSRYRDTFUWMPG-UHFFFAOYSA-N |