Basic information
- CAS
77199-13-4- Standard SMILES
Brc1cccc2cccc[n+]12.[Br-]- InChIKey
JCTCLDZIVBBSGP-UHFFFAOYSA-M- Molecular formula
- C9H7Br2N
- Average molar mass
- 288.97 g/mol
- Monoisotopic mass
- 286.89452
Names & identifiers
- Preferred name
- 4-Bromoquinolizin-5-ium bromide
- IUPAC
- 4-bromoquinolizin-5-ium bromide
Names & synonyms
77199-13-44-Bromoquinolizin-5-ium bromideDTXSID70506862RefChem:291151DTXCID00457671Quinolizinium, 4-bromo-, bromide
Database identifiers
- CAS
77199-13-4- PubChem CID
- 12686161
- DTXSID
DTXSID70506862
Properties
Computed structural properties
- Topological polar surface area
- 4.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 138
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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