Basic information
- CAS
23571-43-9- Standard SMILES
CCc1cnc([N+](=O)[O-])n1CCCl- InChIKey
SPPPYRUQHOFCCJ-UHFFFAOYSA-N- Molecular formula
- C7H10ClN3O2
- Average molar mass
- 203.62 g/mol
- Monoisotopic mass
- 203.0461543
Names & identifiers
- Preferred name
- Imidazole, 1-(2-chloroethyl)-5-ethyl-2-nitro-
- IUPAC
- 1-(2-chloroethyl)-5-ethyl-2-nitroimidazole
- English name
- 1-(2-Chloroethyl)-5-ethyl-2-nitro-1H-imidazole
- Molecular formula
- C7H10ClN3O2
- Molecular weight
- 203.63
Names & synonyms
23571-43-9Imidazole, 1-(2-chloroethyl)-5-ethyl-2-nitro-RefChem:10871971-(2-Chloroethyl)-5-ethyl-2-nitroimidazole1-(2-chloroethyl)-5-ethyl-2-nitro-1h-imidazoleDTXSID009463581H-Imidazole, 1-(2-chloroethyl)-5-ethyl-2-nitro-
Database identifiers
- CAS
23571-43-9- PubChem CID
- 90180
- DTXSID
DTXSID00946358- Nikkaji
- J49.316C
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 185
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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