1-(2-Tetrahydrofuranyl)-2-methyl-5-nitroimidazole
Basic information
- CAS
70028-96-5- Standard SMILES
Cc1ncc([N+](=O)[O-])n1C1CCCO1- InChIKey
IBBWMFQRPKETAO-UHFFFAOYSA-N- Molecular formula
- C8H11N3O3
- Average molar mass
- 197.19 g/mol
- Monoisotopic mass
- 197.08004122
Names & identifiers
- Preferred name
- 1-(2-Tetrahydrofuranyl)-2-methyl-5-nitroimidazole
- IUPAC
- 2-methyl-5-nitro-1-(oxolan-2-yl)imidazole
Names & synonyms
70028-96-51-(2-Tetrahydrofuranyl)-2-methyl-5-nitroimidazoleImidazole, 1-(2-tetrahydrofuranyl)-2-methyl-5-nitro-2-Methyl-5-nitro-1-(oxolan-2-yl)-1H-imidazoleDTXSID20990277
Database identifiers
- CAS
70028-96-5- PubChem CID
- 153104
- DTXSID
DTXSID20990277- Nikkaji
- J86.869H
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 230
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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