1-{[3-Chloro-2-(fluorosulfonyl)phenyl]methyl}-3-{[2-(3,4-dichlorophenoxy)acetamido]methyl}pyridin-1-ium bromide
Basic information
- CAS
25300-17-8- Standard SMILES
O=C(COc1ccc(Cl)c(Cl)c1)NCc1ccc[n+](Cc2cccc(Cl)c2S(=O)(=O)F)c1.[Br-]- InChIKey
CZGNYNBLEGFMHK-UHFFFAOYSA-N- Molecular formula
- C21H17BrCl3FN2O4S
- Average molar mass
- 598.7 g/mol
- Monoisotopic mass
- 595.9142
Names & identifiers
- Preferred name
- 1-{[3-Chloro-2-(fluorosulfonyl)phenyl]methyl}-3-{[2-(3,4-dichlorophenoxy)acetamido]methyl}pyridin-1-ium bromide
- IUPAC
- 2-chloro-6-[[3-[[[2-(3,4-dichlorophenoxy)acetyl]amino]methyl]pyridin-1-ium-1-yl]methyl]benzenesulfonyl fluoride bromide
Names & synonyms
25300-17-8DTXSID60638828NSC212027NSC-2120271-{[3-Chloro-2-(fluorosulfonyl)phenyl]methyl}-3-{[2-(3,4-dichlorophenoxy)acetamido]methyl}pyridin-1-ium bromide
Database identifiers
- CAS
25300-17-8- PubChem CID
- 24196232
- DTXSID
DTXSID60638828
Properties
Computed structural properties
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 726
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Related reactions
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Compound notes
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