Basic information
- CAS
61851-80-7- Standard SMILES
Cn1cc(Br)c[n+](C)c1=O- InChIKey
VFJJMENQTVSDAG-UHFFFAOYSA-N- Molecular formula
- C6H8BrN2O+
- Average molar mass
- 204.04 g/mol
- Monoisotopic mass
- 202.982
Names & identifiers
- Preferred name
- 5-Bromo-1,3-dimethyl-2-oxo-2,3-dihydropyrimidin-1-ium
- IUPAC
- 5-bromo-1,3-dimethylpyrimidin-3-ium-2-one
Names & synonyms
61851-80-75-Bromo-1,3-dimethyl-2-oxo-2,3-dihydropyrimidin-1-iumDTXSID00494869
Database identifiers
- CAS
61851-80-7- PubChem CID
- 12371695
- DTXSID
DTXSID00494869
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 23.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 1
- Complexity
- 211
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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