Basic information
- CAS
11070-38-5- Standard SMILES
C[n+]1c([O-])c(C(=O)CCl)n2cc([N+](=O)[O-])ccc21- InChIKey
HVZYKUSZUSDIRD-UHFFFAOYSA-N- Molecular formula
- C10H8ClN3O4
- Average molar mass
- 269.64 g/mol
- Monoisotopic mass
- 269.0203334
Names & identifiers
- Preferred name
- imidazo(1,2-a)pyridinium, 3-(2-chloroacetyl)-2-hydroxy-1-methyl-6-nitro-, inner salt
- IUPAC
- 3-(2-chloroacetyl)-1-methyl-6-nitroimidazo[1,2-a]pyridin-1-ium-2-olate
- English name
- 3-(Chloroacetyl)-2-oxylato-1-methyl-6-nitroimidazo[1,2-a]pyridin-4-ium
- Molecular formula
- C10H9ClN3O4+
- Molecular weight
- 270.64916
Names & synonyms
11070-38-5Imidazo[1,2-a]pyridinium, 3-(2-chloroacetyl)-2-hydroxy-1-methyl-6-nitro-, inner saltimidazo(1,2-a)pyridinium, 3-(2-chloroacetyl)-2-hydroxy-1-methyl-6-nitro-, inner saltRefChem:348592DTXSID5011288143-(Chloroacetyl)-2-oxylato-1-methyl-6-nitroimidazo[1,2-a]pyridin-4-ium3-(Chloroacetyl)-1-methyl-6-nitroimidazo[1,2-a]pyridin-1-ium-2-olate
Database identifiers
- CAS
11070-38-5- PubChem CID
- 613190
- DTXSID
DTXSID501128814- Nikkaji
- J112.443I
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 94.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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