Basic information
- CAS
27979-05-1- Standard SMILES
O=[N+]([O-])c1nc(I)c([N+](=O)[O-])[nH]1- InChIKey
YETKFFBUAOZENB-UHFFFAOYSA-N- Molecular formula
- C3HIN4O4
- Average molar mass
- 283.97 g/mol
- Monoisotopic mass
- 283.90425
Names & identifiers
- Preferred name
- 5-Iodo-2,4-dinitro-1H-imidazole
- IUPAC
- 4-iodo-2,5-dinitro-1H-imidazole
Names & synonyms
5-Iodo-2,4-dinitro-1H-imidazole27979-05-1DTXSID40496802
Database identifiers
- CAS
27979-05-1- PubChem CID
- 136239683
- DTXSID
DTXSID40496802
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 211
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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