4-Methoxy-3-methyl-1-nitroimidazol-3-ium
Completing data — refresh the page later to see the latest
Basic information
- CAS
35687-41-3- Standard SMILES
COc1cn([N+](=O)[O-])c[n+]1C- InChIKey
LCAIFYXUTUWSJY-UHFFFAOYSA-N- Molecular formula
- C5H8N3O3+
- Average molar mass
- 158.14 g/mol
- Monoisotopic mass
- 158.05656613
Names & identifiers
- Preferred name
- 4-Methoxy-3-methyl-1-nitroimidazol-3-ium
- IUPAC
- 4-methoxy-3-methyl-1-nitroimidazol-3-ium
- English name
- 5-METHOXY-1-METHYL-3-NITRO-1H-IMIDAZOLE
- Molecular weight
- 0
Names & synonyms
35687-41-3DTXSID809570684-Methoxy-3-methyl-1-nitro-1H-imidazol-3-ium5-METHOXY-1-METHYL-3-NITRO-1H-IMIDAZOLE
Database identifiers
- CAS
35687-41-3- PubChem CID
- 6328249
- DTXSID
DTXSID80957068
Properties
Computed structural propertiesFilling in
- XLogP
- 0.7
- Topological polar surface area
- 63.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 1
- Complexity
- 158
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…