Basic information
- CAS
65991-92-6- Standard SMILES
N#CC(Cl)Cn1ccnc1- InChIKey
LDSRKABXPNTTOS-UHFFFAOYSA-N- Molecular formula
- C6H6ClN3
- Average molar mass
- 155.58 g/mol
- Monoisotopic mass
- 155.0250249
Names & identifiers
- Preferred name
- I+/--Chloro-1H-imidazole-1-propanenitrile
- IUPAC
- 2-chloro-3-imidazol-1-ylpropanenitrile
Names & synonyms
65991-92-6DTXSID701283353AKOS022635421I+/--Chloro-1H-imidazole-1-propanenitrile2-Chloro-3-(1H-imidazol-1-yl)propanenitrile
Database identifiers
- CAS
65991-92-6- PubChem CID
- 12377917
- DTXSID
DTXSID701283353
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 150
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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