Quinolinium, 1-methyl-5-nitro-, methanesulfonate
Basic information
- CAS
236093-03-1- Standard SMILES
CS(=O)(=O)[O-].C[n+]1cccc2c([N+](=O)[O-])cccc21- InChIKey
GWTNLXRMKFRSSG-UHFFFAOYSA-M- Molecular formula
- C11H12N2O5S
- Average molar mass
- 284.29 g/mol
- Monoisotopic mass
- 284.04669266
Names & identifiers
- Preferred name
- Quinolinium, 1-methyl-5-nitro-, methanesulfonate
- IUPAC
- methanesulfonate;1-methyl-5-nitroquinolin-1-ium
Names & synonyms
Quinolinium, 1-methyl-5-nitro-, methanesulfonate236093-03-11-methyl-5-nitroquinolinium methanesulfonateDTXSID901782671-Methyl-5-nitroquinolin-1-ium methanesulfonate
Database identifiers
- CAS
236093-03-1- PubChem CID
- 154247
- DTXSID
DTXSID90178267
Properties
Computed structural properties
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 306
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Compound notes
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