Basic information
- CAS
791521-93-2- Standard SMILES
ClC=C(Cl)C[n+]1ccccc1- InChIKey
ACZWHGNHQPASMG-UHFFFAOYSA-N- Molecular formula
- C8H8Cl2N+
- Average molar mass
- 189.06 g/mol
- Monoisotopic mass
- 188.0033796
Names & identifiers
- Preferred name
- 1-(2,3-Dichloroprop-2-en-1-yl)pyridin-1-ium
- IUPAC
- 1-(2,3-dichloroprop-2-enyl)pyridin-1-ium
Names & synonyms
DTXSID4013661481-(2,3-dichloroprop-2-en-1-yl)pyridin-1-ium791521-93-2
Database identifiers
- CAS
791521-93-2- PubChem CID
- 70638
- DTXSID
DTXSID401366148
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 3.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 1
- Complexity
- 139
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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