2-(hydroxymethyl)-5-nitro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-(hydroxymethyl)-5-nitro-1H-isoindole-1,3(2H)-dione
2-(hydroxymethyl)-5-nitro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 1160-0087 |
| Compound Name: | 2-(hydroxymethyl)-5-nitro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 222.15 |
| Molecular Formula: | C9 H6 N2 O5 |
| Smiles: | C(N1C(c2ccc(cc2C1=O)[N+]([O-])=O)=O)O |
| Stereo: | ACHIRAL |
| logP: | 0.5781 |
| logD: | 0.5781 |
| logSw: | -2.2009 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.168 |
| InChI Key: | LCUYVSBMPMKCST-UHFFFAOYSA-N |