1-(2-Chloroethyl)-2-methyl-4-nitro-1H-imidazole
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Basic information
- CAS
16156-95-9- Standard SMILES
Cc1nc([N+](=O)[O-])cn1CCCl- InChIKey
GPHZIQJSCSATJL-UHFFFAOYSA-N- Molecular formula
- C6H8ClN3O2
- Average molar mass
- 189.6 g/mol
- Monoisotopic mass
- 189.0305042
Names & identifiers
- Preferred name
- 1-(2-Chloroethyl)-2-methyl-4-nitro-1H-imidazole
- IUPAC
- 1-(2-chloroethyl)-2-methyl-4-nitroimidazole
- English name
- 1-(2-Chloroethyl)-2-methyl-4-nitro-1H-imidazole
- Molecular formula
- C6H8ClN3O2
- Molecular weight
- 189.6
Names & synonyms
16156-95-91-(2-chloroethyl)-2-methyl-4-nitro-1H-imidazoleImidazole, 1-(2-chloroethyl)-2-methyl-4-nitro-DTXSID10167198RefChem:1053938DTXCID10896891-(2-Chloroethyl)-2-methyl-4-nitroimidazoleBRN 06104691H-Imidazole, 1-(2-chloroethyl)-2-methyl-4-nitro-
Database identifiers
- CAS
16156-95-9- PubChem CID
- 85310
- DTXSID
DTXSID10167198- Nikkaji
- J49.317A
Properties
Computed structural propertiesFilling in
- XLogP
- 0.7
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 173
Physicochemical properties
- Boiling point
- 364.8 · 364.8±22.0 °C(Predicted)
- Density
- 1.45 · 1.45±0.1 g/cm3(Predicted)
- pka
- 0.93 · 0.93±0.60(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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