9,10-Dihydro-9-nitro-9,10(1',2')-benzenoanthracene
1-nitropentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene
Also Known As: 9-Nitro triptycene|9-nitrotriptycene|J1.866.326K|9-Nitro-9,10-[1,2]benzeno-9,10-dihydroanthracene|9-Nitro-9,10-dihydro-9,10-[1,2]benzenoanthracene|9,10-Dihydro-9-nitro-9,10(1',2')-benzenoanthracene|9,10-Dihydro-9-nitro-9,10[1',2']-benzenoanthracene|9,10-Dihydro-9-nitro-9,10[1a(2),2a(2)]-benzenoanthracene|1-nitropentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene|1-Nitropentacyclo[6.6.6.0~2,7~.0~9,14~.0~15,20~]icosa-2,4,6,9,11,13,15,17,19-nonaene
| Molecular Formula | C20H13NO2 |
|---|---|
| Molecular Weight | 299.09464 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 299.09464 |
| Monoisotopic Mass | 299.09464 |
| Heavy Atoms | 23 |
| Complexity | 439.0 |
Chemical Identifiers
| CAS Number | 797-67-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3C4=CC=CC=C4C2(C5=CC=CC=C35)[N+](=O)[O-] |
| InChIKey | ZCDJEBGVXDZZQH-UHFFFAOYSA-N |
Product Overview
9,10-Dihydro-9-nitro-9,10(1',2')-benzenoanthracene (CAS 797-67-1), with molecular formula C20H13NO2 and molecular weight 299.09464 g/mol. IUPAC: 1-nitropentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene.