1-(4-Bromophenyl)-3-(3-chloropyridin-1-ium-1-yl)prop-2-en-1-one chloride
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Basic information
- CAS
252551-81-8- Standard SMILES
O=C(C=C[n+]1cccc(Cl)c1)c1ccc(Br)cc1.[Cl-]- InChIKey
GONFHYGCAXHEFQ-UHFFFAOYSA-M- Molecular formula
- C14H10BrCl2NO
- Average molar mass
- 359 g/mol
- Monoisotopic mass
- 356.93228
Names & identifiers
- Preferred name
- 1-(4-Bromophenyl)-3-(3-chloropyridin-1-ium-1-yl)prop-2-en-1-one chloride
- IUPAC
- 1-(4-bromophenyl)-3-(3-chloropyridin-1-ium-1-yl)prop-2-en-1-one chloride
- English name
- 1-(4-BROMOPHENYL)-3-(3-CHLOROPYRIDINIUM-1-YL)PROP-2-EN-1-ONE CHLORIDE
- Molecular formula
- C14H10BrCl2NO
- Molecular weight
- 359.04
Names & synonyms
1-(4-BROMOPHENYL)-3-(3-CHLOROPYRIDINIUM-1-YL)PROP-2-EN-1-ONE CHLORIDE
Database identifiers
- CAS
252551-81-8- PubChem CID
- 2775429
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 21 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 313
Physicochemical properties
- Hazard Note
- Harmful
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_note
- Harmful
Related reactions
0 records
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Compound notes
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