4'-Nitrobenzo-12-crown-4
14-nitro-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-triene
Also Known As: 4'-Nitrobenzo-12-crown-4|4-Nitrobenzo-12-crown-4|Oprea1_558182|CS-M2687|J1.056.363A|14-nitro-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-triene|AB00709306-01|12-nitro-2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecine|SR-01000390007-1|2,3-(4`-nitrobenzo)-1,4,7,10-tetraoxacyclododeca-2-ene|12-nitro-1,2,3,4,5,6,7,8,9,10-decahydrobenzo[a][12]annulene|1,4,7,10-Benzotetraoxacyclododecin, 2,3,5,6,8,9-hexahydro-12-nitro-|12-Nitro-2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecin|12-nitro-2,3,5,6,8,9-hexahydrobenzo[b][1,4,7,10]tetraoxacyclododecine
| Molecular Formula | C12H15NO6 |
|---|---|
| Molecular Weight | 269.08994 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 82.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 269.08994 |
| Monoisotopic Mass | 269.08994 |
| Heavy Atoms | 19 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 78554-67-3 |
|---|---|
| SMILES | C1COCCOC2=C(C=CC(=C2)[N+](=O)[O-])OCCO1 |
| InChIKey | UUQRTEFANVWPTD-UHFFFAOYSA-N |
Product Overview
4'-Nitrobenzo-12-crown-4 (CAS 78554-67-3), with molecular formula C12H15NO6 and molecular weight 269.08994 g/mol. IUPAC: 14-nitro-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-triene.