Basic information
- CAS
23571-42-8- Standard SMILES
Cc1cnc([N+](=O)[O-])n1CCCl- InChIKey
UKOJVGHJIMUQHH-UHFFFAOYSA-N- Molecular formula
- C6H8ClN3O2
- Average molar mass
- 189.6 g/mol
- Monoisotopic mass
- 189.0305042
Names & identifiers
- Preferred name
- Imidazole, 1-(2-chloroethyl)-5-methyl-2-nitro-
- IUPAC
- 1-(2-chloroethyl)-5-methyl-2-nitroimidazole
- English name
- 1-(2-Chloroethyl)-5-methyl-2-nitro-1H-imidazole
- Molecular formula
- C6H8ClN3O2
- Molecular weight
- 189.6
Names & synonyms
23571-42-8Imidazole, 1-(2-chloroethyl)-5-methyl-2-nitro-RefChem:10871981-(2-Chloroethyl)-5-methyl-2-nitroimidazole1-(2-chloroethyl)-5-methyl-2-nitro-1h-imidazoleDTXSID409463571H-Imidazole, 1-(2-chloroethyl)-5-methyl-2-nitro-
Database identifiers
- CAS
23571-42-8- PubChem CID
- 90179
- DTXSID
DTXSID40946357- Nikkaji
- J49.318J
Properties
Computed structural properties
- XLogP
- 1.5
- 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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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