1-(5-Bromo-2-methoxyphenyl)-2-(1-oxo-1lambda~5~-pyridin-2-yl)ethan-1-one
Basic information
- CAS
61395-11-7- Standard SMILES
COc1ccc(Br)cc1C(=O)Cc1cccc[n+]1[O-]- InChIKey
IFLOJQLNTTXCQP-UHFFFAOYSA-N- Molecular formula
- C14H12BrNO3
- Average molar mass
- 322.15 g/mol
- Monoisotopic mass
- 321.00006
Names & identifiers
- Preferred name
- 1-(5-Bromo-2-methoxyphenyl)-2-(1-oxo-1lambda~5~-pyridin-2-yl)ethan-1-one
- IUPAC
- 1-(5-bromo-2-methoxyphenyl)-2-(1-oxidopyridin-1-ium-2-yl)ethanone
Names & synonyms
61395-11-7SCHEMBL11618580DTXSID504909321-(5-Bromo-2-methoxyphenyl)-2-(1-oxo-1lambda~5~-pyridin-2-yl)ethan-1-one
Database identifiers
- CAS
61395-11-7- PubChem CID
- 12333376
- DTXSID
DTXSID50490932
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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