BENZO(ghi)PERYLENE, 5-NITRO-
Basic information
- CAS
81316-87-2- Standard SMILES
O=[N+]([O-])c1ccc2c3cccc4ccc5ccc6ccc1c2c6c5c43- InChIKey
PEVCOODQXOIYQH-UHFFFAOYSA-N- Molecular formula
- C22H11NO2
- Average molar mass
- 321.3 g/mol
- Monoisotopic mass
- 321.07897859
Names & identifiers
- Preferred name
- BENZO(ghi)PERYLENE, 5-NITRO-
- IUPAC
- 2-nitrohexacyclo[12.8.0.02,11.03,8.04,21.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaene
- English name
- 5-NITROBENZO(GHI)PERYLENE
- Molecular formula
- C22H11NO2
- Molecular weight
- 321.33
Names & synonyms
5-Nitrobenzo(ghi)peryleneBENZO(ghi)PERYLENE, 5-NITRO-81316-87-25-nitrobenzo[ghi]peryleneDTXSID60231050Benzo[ghi]perylene, 3-nitro-
Database identifiers
- CAS
81316-87-2- PubChem CID
- 54733
- DTXSID
DTXSID60231050- Nikkaji
- J132.037H
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 571
Physicochemical properties
- Boiling point
- 561.087 · 561.087±19.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.514 · 1.514±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…