2-[4-chloro-3-(trifluoromethyl)phenyl]-1-hydroxy-1,4-dihydro-1,2,4-benzotriazin-3(2H)-one
Chemical Structure Depiction of
2-[4-chloro-3-(trifluoromethyl)phenyl]-1-hydroxy-1,4-dihydro-1,2,4-benzotriazin-3(2H)-one
2-[4-chloro-3-(trifluoromethyl)phenyl]-1-hydroxy-1,4-dihydro-1,2,4-benzotriazin-3(2H)-one
Compound characteristics
| Compound ID: | C710-0015 |
| Compound Name: | 2-[4-chloro-3-(trifluoromethyl)phenyl]-1-hydroxy-1,4-dihydro-1,2,4-benzotriazin-3(2H)-one |
| Molecular Weight: | 343.69 |
| Molecular Formula: | C14 H9 Cl F3 N3 O2 |
| Smiles: | c1ccc2c(c1)NC(N(c1ccc(c(c1)C(F)(F)F)[Cl])N2O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7098 |
| logD: | 3.5943 |
| logSw: | -4.1045 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 48.615 |
| InChI Key: | LKDPNXGKEOBLJC-UHFFFAOYSA-N |