1-(8-Nitro-1-pyrenyl)-ethanone
Basic information
- CAS
32832-28-3- Standard SMILES
CC(=O)c1ccc2ccc3ccc([N+](=O)[O-])c4ccc1c2c34- InChIKey
COQZKYOQTHYKMB-UHFFFAOYSA-N- Molecular formula
- C18H11NO3
- Average molar mass
- 289.3 g/mol
- Monoisotopic mass
- 289.07389321
Names & identifiers
- Preferred name
- 1-(8-Nitro-1-pyrenyl)-ethanone
- IUPAC
- 1-(8-nitropyren-1-yl)ethanone
Names & synonyms
1-(8-Nitro-1-pyrenyl)-ethanone32832-28-3DTXSID101865011-(8-NITROPYREN-1-YL)ETHAN-1-ONE
Database identifiers
- CAS
32832-28-3- PubChem CID
- 3015643
- DTXSID
DTXSID10186501
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 62.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 485
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Compound notes
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