1-Oxido-3-phenylquinolin-1-ium
Basic information
- CAS
25308-72-9- Standard SMILES
[O-][n+]1cc(-c2ccccc2)cc2ccccc21- InChIKey
AMSNCSCROOHIEF-UHFFFAOYSA-N- Molecular formula
- C15H11NO
- Average molar mass
- 221.25 g/mol
- Monoisotopic mass
- 221.08406397
Names & identifiers
- Preferred name
- 1-Oxido-3-phenylquinolin-1-ium
- IUPAC
- 1-oxido-3-phenylquinolin-1-ium
Names & synonyms
1-oxido-3-phenylquinolin-1-ium25308-72-93-phenylquinoline 1-oxideNSC109448SCHEMBL2008748DTXSID40296460AKOS0253951641-Oxo-3-phenyl-1lambda~5~-quinolineNSC-109448
Database identifiers
- CAS
25308-72-9- PubChem CID
- 268952
- DTXSID
DTXSID40296460
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 25.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 249
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Compound notes
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