Basic information
- CAS
21979-27-1- Standard SMILES
C[n+]1cc(Br)cc2ccccc21- InChIKey
QXBOGYGAIILJGT-UHFFFAOYSA-N- Molecular formula
- C10H9BrN+
- Average molar mass
- 223.09 g/mol
- Monoisotopic mass
- 221.99184
Names & identifiers
- Preferred name
- Quinolinium, 3-bromo-1-methyl-
- IUPAC
- 3-bromo-1-methylquinolin-1-ium
- English name
- 3-BROMO-1-METHYLQUINOLINIUM
- Molecular formula
- C10H9BrN+
- Molecular weight
- 223.09
Names & synonyms
Quinolinium, 3-bromo-1-methyl-3-bromo-1-methylquinolin-1-ium21979-27-13-bromo-1-methylquinolinium3-bromo-1-methylquinolineC10H9BrN+DTXSID903283013-bromo-1-methyl-quinolin-1-iumSBB096445AC-907/30063012
Database identifiers
- CAS
21979-27-1- PubChem CID
- 409147
- DTXSID
DTXSID90328301- Nikkaji
- J351.240A
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 3.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 1
- Complexity
- 160
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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