methyl 1-oxo-2,1lambda~5~,3-benzoxadiazole-5-carboxylate
Chemical Structure Depiction of
methyl 1-oxo-2,1lambda~5~,3-benzoxadiazole-5-carboxylate
methyl 1-oxo-2,1lambda~5~,3-benzoxadiazole-5-carboxylate
Compound characteristics
| Compound ID: | 4102-0094 |
| Compound Name: | methyl 1-oxo-2,1lambda~5~,3-benzoxadiazole-5-carboxylate |
| Molecular Weight: | 194.14 |
| Molecular Formula: | C8 H6 N2 O4 |
| Smiles: | COC(c1ccc2c(c1)no[n+]2[O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.5245 |
| logD: | 1.5245 |
| logSw: | -1.8441 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.134 |
| InChI Key: | RNWZDPNHUZUYQZ-UHFFFAOYSA-N |