3,9-Dinitroperylene
Basic information
- CAS
91997-66-9- Standard SMILES
O=[N+]([O-])c1ccc2c3cccc4c([N+](=O)[O-])ccc(c5cccc1c52)c43- InChIKey
SLLXUWWPNNVZRU-UHFFFAOYSA-N- Molecular formula
- C20H10N2O4
- Average molar mass
- 342.3 g/mol
- Monoisotopic mass
- 342.0640568
Names & identifiers
- Preferred name
- 3,9-Dinitroperylene
- IUPAC
- 3,9-dinitroperylene
Names & synonyms
3,9-DinitroperylenePerylene, 3,9-dinitro-91997-66-9DTXSID80238809
Database identifiers
- CAS
91997-66-9- PubChem CID
- 150353
- DTXSID
DTXSID80238809
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 548
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Related reactions
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Compound notes
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