3-nitro-4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)benzonitrile
Chemical Structure Depiction of
3-nitro-4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)benzonitrile
3-nitro-4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)benzonitrile
Compound characteristics
| Compound ID: | Y500-5921 |
| Compound Name: | 3-nitro-4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)benzonitrile |
| Molecular Weight: | 293.24 |
| Molecular Formula: | C14 H7 N5 O3 |
| Smiles: | C(c1ccc(c(c1)[N+]([O-])=O)N1C(c2ccccc2N=N1)=O)#N |
| Stereo: | ACHIRAL |
| logP: | 2.4695 |
| logD: | 2.4695 |
| logSw: | -3.0259 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 89.349 |
| InChI Key: | DOWAVNWYZRCAGS-UHFFFAOYSA-N |