N-(2-chloro-5-nitrophenyl)-N'-[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]urea
Chemical Structure Depiction of
N-(2-chloro-5-nitrophenyl)-N'-[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]urea
N-(2-chloro-5-nitrophenyl)-N'-[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]urea
Compound characteristics
| Compound ID: | C097-0050 |
| Compound Name: | N-(2-chloro-5-nitrophenyl)-N'-[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]urea |
| Molecular Weight: | 403.7 |
| Molecular Formula: | C15 H9 Cl F3 N3 O5 |
| Smiles: | c1ccc2c(c1)OC(C(F)(F)F)(NC(Nc1cc(ccc1[Cl])[N+]([O-])=O)=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 4.1648 |
| logD: | 2.801 |
| logSw: | -4.7151 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.317 |
| InChI Key: | ADDXNBMCBRPERC-UHFFFAOYSA-N |