Basic information
- Standard SMILES
CC(Cl)=CC(=O)c1cccnc1.Cl- InChIKey
IJOZYTYQIPLTDY-UHFFFAOYSA-N- Molecular formula
- C9H9Cl2NO
- Average molar mass
- 218.08 g/mol
Names & identifiers
- Preferred name
- 2-Nicotinoyl-1-methylvinyl chloride hydrochloride
- IUPAC
- 3-chloro-1-pyridin-3-ylbut-2-en-1-one;hydrochloride
Names & synonyms
SCHEMBL11600652IJOZYTYQIPLTDY-UHFFFAOYSA-N2-nicotinoyl-1-methylvinyl chloride hydrochloride
Database identifiers
- PubChem CID
- 73676332
Properties
Computed structural properties
- Topological polar surface area
- 30 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 201
Related reactions
1 records
Compound notes
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