4-(1H-benzotriazol-1-yl)-3-nitrobenzonitrile
Chemical Structure Depiction of
4-(1H-benzotriazol-1-yl)-3-nitrobenzonitrile
4-(1H-benzotriazol-1-yl)-3-nitrobenzonitrile
Compound characteristics
| Compound ID: | 8009-4489 |
| Compound Name: | 4-(1H-benzotriazol-1-yl)-3-nitrobenzonitrile |
| Molecular Weight: | 265.23 |
| Molecular Formula: | C13 H7 N5 O2 |
| Smiles: | C(c1ccc(c(c1)[N+]([O-])=O)n1c2ccccc2nn1)#N |
| Stereo: | ACHIRAL |
| logP: | 2.0542 |
| logD: | 2.0542 |
| logSw: | -2.3592 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 75.636 |
| InChI Key: | NZGBXXYFVZKALT-UHFFFAOYSA-N |