Pyridinium, 1-(3,4-dichloro-beta-((2-ethylhexyl)oxy)-phenethyl)-, bromide
Basic information
- CAS
17751-68-7- Standard SMILES
CCCCC(CC)COC(C[n+]1ccccc1)c1ccc(Cl)c(Cl)c1.[Br-]- InChIKey
OYDHAGUIMWWLLC-UHFFFAOYSA-M- Molecular formula
- C21H28BrCl2NO
- Average molar mass
- 461.3 g/mol
- Monoisotopic mass
- 459.07313
Names & identifiers
- Preferred name
- Pyridinium, 1-(3,4-dichloro-beta-((2-ethylhexyl)oxy)-phenethyl)-, bromide
- IUPAC
- 1-[2-(3,4-dichlorophenyl)-2-(2-ethylhexoxy)ethyl]pyridin-1-ium bromide
Names & synonyms
1-(3,4-Dichloro-beta-((2-ethylhexyl)oxy)phenethyl)pyridinium bromide17751-68-7Pyridinium, 1-(3,4-dichloro-beta-((2-ethylhexyl)oxy)-phenethyl)-, bromideRefChem:377002DTXSID109389411-{2-(3,4-Dichlorophenyl)-2-[(2-ethylhexyl)oxy]ethyl}pyridin-1-ium bromide
Database identifiers
- CAS
17751-68-7- PubChem CID
- 205284
- DTXSID
DTXSID10938941
Properties
Computed structural properties
- Topological polar surface area
- 13.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 349
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Related reactions
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Compound notes
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