Pyrene, methylnitro-
Basic information
- CAS
80182-28-1- Standard SMILES
Cc1cc2ccc3cccc4ccc(c1[N+](=O)[O-])c2c34- InChIKey
ZLQNXDAPCQNBNE-UHFFFAOYSA-N- Molecular formula
- C17H11NO2
- Average molar mass
- 261.27 g/mol
- Monoisotopic mass
- 261.07897859
Names & identifiers
- Preferred name
- Pyrene, methylnitro-
- IUPAC
- 2-methyl-1-nitropyrene
Names & synonyms
Pyrene, methylnitro-80182-28-1DTXSID90230137RefChem:376324DTXCID901526282-methyl-1-nitropyrenemethylnitropyrene
Database identifiers
- CAS
80182-28-1- PubChem CID
- 149803
- DTXSID
DTXSID90230137
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 404
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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