4-[2-(4-Chlorophenyl)ethenyl]-1-ethylpyridin-1-ium
Basic information
- CAS
6662-59-5- Standard SMILES
CC[n+]1ccc(C=Cc2ccc(Cl)cc2)cc1- InChIKey
UJSDBSOJTLWIDO-UHFFFAOYSA-N- Molecular formula
- C15H15ClN+
- Average molar mass
- 244.74 g/mol
- Monoisotopic mass
- 244.0893022
Names & identifiers
- Preferred name
- 4-[2-(4-Chlorophenyl)ethenyl]-1-ethylpyridin-1-ium
- IUPAC
- 4-[2-(4-chlorophenyl)ethenyl]-1-ethylpyridin-1-ium
Names & synonyms
6662-59-54-[2-(4-chlorophenyl)ethenyl]-1-ethylpyridin-1-iumDTXSID00357627AKOS0006786224-[2-(4-Chlorophenyl)ethen-1-yl]-1-ethylpyridin-1-ium
Database identifiers
- CAS
6662-59-5- PubChem CID
- 855079
- DTXSID
DTXSID00357627
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 3.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 1
- Complexity
- 235
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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