pentyl 6-nitro-2-oxo-1,3-benzoxazole-3(2H)-carboxylate
Chemical Structure Depiction of
pentyl 6-nitro-2-oxo-1,3-benzoxazole-3(2H)-carboxylate
pentyl 6-nitro-2-oxo-1,3-benzoxazole-3(2H)-carboxylate
Compound characteristics
| Compound ID: | 0217-0028 |
| Compound Name: | pentyl 6-nitro-2-oxo-1,3-benzoxazole-3(2H)-carboxylate |
| Molecular Weight: | 294.26 |
| Molecular Formula: | C13 H14 N2 O6 |
| Smiles: | CCCCCOC(N1C(=O)Oc2cc(ccc12)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2352 |
| logD: | 3.2352 |
| logSw: | -3.5646 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.651 |
| InChI Key: | JNTAJDCLTLGLOZ-UHFFFAOYSA-N |