6,7-dichloro-2-(4-fluoro-3-nitrophenyl)-1-hydroxy-1,4-dihydro-1,2,4-benzotriazin-3(2H)-one
Chemical Structure Depiction of
6,7-dichloro-2-(4-fluoro-3-nitrophenyl)-1-hydroxy-1,4-dihydro-1,2,4-benzotriazin-3(2H)-one
6,7-dichloro-2-(4-fluoro-3-nitrophenyl)-1-hydroxy-1,4-dihydro-1,2,4-benzotriazin-3(2H)-one
Compound characteristics
| Compound ID: | 3214-0052 |
| Compound Name: | 6,7-dichloro-2-(4-fluoro-3-nitrophenyl)-1-hydroxy-1,4-dihydro-1,2,4-benzotriazin-3(2H)-one |
| Molecular Weight: | 373.12 |
| Molecular Formula: | C13 H7 Cl2 F N4 O4 |
| Smiles: | c1cc(c(cc1N1C(Nc2cc(c(cc2N1O)[Cl])[Cl])=O)[N+]([O-])=O)F |
| Stereo: | ACHIRAL |
| logP: | 3.6632 |
| logD: | 3.3658 |
| logSw: | -3.9377 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.696 |
| InChI Key: | BFJLKPCCPXGPAY-UHFFFAOYSA-N |