2-(6-bromo-2H-1,3-benzodioxol-5-yl)-4,6-dinitro-1H-indole
Chemical Structure Depiction of
2-(6-bromo-2H-1,3-benzodioxol-5-yl)-4,6-dinitro-1H-indole
2-(6-bromo-2H-1,3-benzodioxol-5-yl)-4,6-dinitro-1H-indole
Compound characteristics
| Compound ID: | Y508-2627 |
| Compound Name: | 2-(6-bromo-2H-1,3-benzodioxol-5-yl)-4,6-dinitro-1H-indole |
| Molecular Weight: | 406.15 |
| Molecular Formula: | C15 H8 Br N3 O6 |
| Smiles: | C1Oc2cc(c(cc2O1)[Br])c1cc2c(cc(cc2[nH]1)[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.7226 |
| logD: | 4.7226 |
| logSw: | -4.8018 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.894 |
| InChI Key: | HCGDTCUDQQXQQL-UHFFFAOYSA-N |