(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl 3-nitrobenzoate
Chemical Structure Depiction of
(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl 3-nitrobenzoate
(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl 3-nitrobenzoate
Compound characteristics
| Compound ID: | 4593-7407 |
| Compound Name: | (4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl 3-nitrobenzoate |
| Molecular Weight: | 326.27 |
| Molecular Formula: | C15 H10 N4 O5 |
| Smiles: | C(N1C(c2ccccc2N=N1)=O)OC(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8901 |
| logD: | 2.8901 |
| logSw: | -3.712 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 95.919 |
| InChI Key: | GKUHBECZAORDBA-UHFFFAOYSA-N |