1-Nitropyrene-4,5-quinone
Basic information
- CAS
102822-04-8- Standard SMILES
O=c1c(=O)c2ccc([N+](=O)[O-])c3ccc4cccc1c4c32- InChIKey
FFULSSWAQYOBLC-UHFFFAOYSA-N- Molecular formula
- C16H7NO4
- Average molar mass
- 277.23 g/mol
- Monoisotopic mass
- 277.0375077
Names & identifiers
- Preferred name
- 1-Nitropyrene-4,5-quinone
- IUPAC
- 1-nitropyrene-4,5-dione
Names & synonyms
1-Nitropyrene-4,5-quinone4,5-Pyrenedione, 1-nitro-1-nitropyrene-4,5-dione1-Nitro-4,5-pyrenedione102822-04-8Q2FA93J8ZJCCRIS 2206UNII-Q2FA93J8ZJSCHEMBL7998420DTXSID00145526
Database identifiers
- CAS
102822-04-8- PubChem CID
- 149165
- DTXSID
DTXSID00145526- UNII
- Q2FA93J8ZJ
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 80 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 511
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…