methyl 2,1,3-benzoxadiazole-5-carboxylate
Chemical Structure Depiction of
methyl 2,1,3-benzoxadiazole-5-carboxylate
methyl 2,1,3-benzoxadiazole-5-carboxylate
Compound characteristics
| Compound ID: | 8020-0101 |
| Compound Name: | methyl 2,1,3-benzoxadiazole-5-carboxylate |
| Molecular Weight: | 178.14 |
| Molecular Formula: | C8 H6 N2 O3 |
| Smiles: | COC(c1ccc2c(c1)non2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1927 |
| logD: | 2.1927 |
| logSw: | -2.513 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.732 |
| InChI Key: | FGMQDQDIEOCBPY-UHFFFAOYSA-N |