2-Propanone, 1-(1-methyl-4-nitro-1H-imidazol-5-yl)-
Basic information
- CAS
251297-90-2- Standard SMILES
CC(=O)Cc1c([N+](=O)[O-])ncn1C- InChIKey
QDDLHCXACQUXCK-UHFFFAOYSA-N- Molecular formula
- C7H9N3O3
- Average molar mass
- 183.16 g/mol
- Monoisotopic mass
- 183.06439116
Names & identifiers
- Preferred name
- 2-Propanone, 1-(1-methyl-4-nitro-1H-imidazol-5-yl)-
- IUPAC
- 1-(3-methyl-5-nitroimidazol-4-yl)propan-2-one
Names & synonyms
251297-90-22-Propanone, 1-(1-methyl-4-nitro-1H-imidazol-5-yl)-DTXSID60336695RefChem:266018DTXCID502877831-(3-methyl-5-nitroimidazol-4-yl)propan-2-one1-(1-methyl-4-nitro-1H-imidazol-5-yl)propan-2-oneQDDLHCXACQUXCK-UHFFFAOYSA-NAKOS0125015981-(1-Methyl-4-nitro-1H-imidazol-5-yl)acetone #Propan-2-one, 1-(1-methyl-4-nitroimidazol-5-yl)-
Database identifiers
- CAS
251297-90-2- PubChem CID
- 535588
- DTXSID
DTXSID60336695- Nikkaji
- J1.967.761C
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 80.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 226
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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