N-[(1H-benzotriazol-1-yl)methyl]-2-nitroaniline
Chemical Structure Depiction of
N-[(1H-benzotriazol-1-yl)methyl]-2-nitroaniline
N-[(1H-benzotriazol-1-yl)methyl]-2-nitroaniline
Compound characteristics
| Compound ID: | 1683-6534 |
| Compound Name: | N-[(1H-benzotriazol-1-yl)methyl]-2-nitroaniline |
| Molecular Weight: | 269.26 |
| Molecular Formula: | C13 H11 N5 O2 |
| Smiles: | C(Nc1ccccc1[N+]([O-])=O)n1c2ccccc2nn1 |
| Stereo: | ACHIRAL |
| logP: | 2.5329 |
| logD: | 2.5329 |
| logSw: | -2.623 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.207 |
| InChI Key: | SEXFXNNINSAIJM-UHFFFAOYSA-N |