methyl 4-{[(6-nitro-1H-benzotriazol-1-yl)oxy]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[(6-nitro-1H-benzotriazol-1-yl)oxy]methyl}benzoate
methyl 4-{[(6-nitro-1H-benzotriazol-1-yl)oxy]methyl}benzoate
Compound characteristics
| Compound ID: | 2565-0019 |
| Compound Name: | methyl 4-{[(6-nitro-1H-benzotriazol-1-yl)oxy]methyl}benzoate |
| Molecular Weight: | 328.28 |
| Molecular Formula: | C15 H12 N4 O5 |
| Smiles: | COC(c1ccc(COn2c3cc(ccc3nn2)[N+]([O-])=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0347 |
| logD: | 3.0347 |
| logSw: | -3.2861 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 90.144 |
| InChI Key: | APFZSZGNWRMESH-UHFFFAOYSA-N |