Basic information
- CAS
23571-50-8- Standard SMILES
Cn1c(CCCl)cnc1[N+](=O)[O-]- InChIKey
WYZIGOITRAONMZ-UHFFFAOYSA-N- Molecular formula
- C6H8ClN3O2
- Average molar mass
- 189.6 g/mol
- Monoisotopic mass
- 189.03050418
Names & identifiers
- Preferred name
- Imidazole, 5-(2-chloroethyl)-1-methyl-2-nitro-
- IUPAC
- 5-(2-chloroethyl)-1-methyl-2-nitroimidazole
- English name
- 5-(2-Chloroethyl)-1-methyl-2-nitro-1H-imidazole
- Molecular formula
- C6H8ClN3O2
- Molecular weight
- 189.6
Names & synonyms
5-(2-Chloroethyl)-1-methyl-2-nitroimidazole23571-50-8Imidazole, 5-(2-chloroethyl)-1-methyl-2-nitro-DTXSID10178204RefChem:348877DTXCID001006955-(2-chloroethyl)-1-methyl-2-nitro-1h-imidazoleSCHEMBL11776047WYZIGOITRAONMZ-UHFFFAOYSA-N1H-Imidazole, 5-(2-chloroethyl)-1-methyl-2-nitro-
Database identifiers
- CAS
23571-50-8- PubChem CID
- 90183
- DTXSID
DTXSID10178204- Nikkaji
- J49.319H
Properties
Computed structural properties
- 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
Related reactions
3 records
Compound notes
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