Basic information
- CAS
55241-71-9- Standard SMILES
Cc1ccnc2ccc(Br)c[n+]12- InChIKey
SIHHBEWILXVBOV-UHFFFAOYSA-N- Molecular formula
- C9H8BrN2+
- Average molar mass
- 224.08 g/mol
- Monoisotopic mass
- 222.98709
Names & identifiers
- Preferred name
- 7-Bromo-4-methylpyrido[1,2-a]pyrimidin-5-ium
- IUPAC
- 7-bromo-4-methylpyrido[1,2-a]pyrimidin-5-ium
Names & synonyms
7-bromo-4-methylpyrido[1,2-a]pyrimidin-5-iumCBDivE_014556DTXSID60125933155241-71-9
Database identifiers
- CAS
55241-71-9- PubChem CID
- 787604
- DTXSID
DTXSID601259331
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 17 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 1
- Complexity
- 163
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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