2-butyl-5-nitro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-butyl-5-nitro-1H-isoindole-1,3(2H)-dione
2-butyl-5-nitro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 0086-0128 |
| Compound Name: | 2-butyl-5-nitro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 248.24 |
| Molecular Formula: | C12 H12 N2 O4 |
| Smiles: | CCCCN1C(c2ccc(cc2C1=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5007 |
| logD: | 2.5007 |
| logSw: | -2.9286 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.123 |
| InChI Key: | LSVBBJVITBGNFC-UHFFFAOYSA-N |