1-((3-Chloro-2-(fluorosulfonyl)phenyl)methyl)-3-((2-(3,4-dichlorophenoxy)acetyl)amino)pyridinium
Basic information
- CAS
736075-74-4- Standard SMILES
O=C(COc1ccc(Cl)c(Cl)c1)Nc1ccc[n+](Cc2cccc(Cl)c2S(=O)(=O)F)c1- InChIKey
MSRRGYBQBMODEU-UHFFFAOYSA-O- Molecular formula
- C20H15Cl3FN2O4S+
- Average molar mass
- 504.8 g/mol
- Monoisotopic mass
- 502.980214
Names & identifiers
- Preferred name
- 1-((3-Chloro-2-(fluorosulfonyl)phenyl)methyl)-3-((2-(3,4-dichlorophenoxy)acetyl)amino)pyridinium
- IUPAC
- 2-chloro-6-[[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]pyridin-1-ium-1-yl]methyl]benzenesulfonyl fluoride
Names & synonyms
UJP0F4X17QUNII-UJP0F4X17Q1-((3-Chloro-2-(fluorosulfonyl)phenyl)methyl)-3-((2-(3,4-dichlorophenoxy)acetyl)amino)pyridinium736075-74-41-((3-Chloro-2-(fluorosulfonyl)phenyl)methyl)-3-(((3,4-dichlorophenoxy)acetyl)amino)-, pyridinium1-((3-Chloro-2-(fluorosulfonyl)phenyl)methyl)-3-((2-(3,4-dichlorophenoxy)acetyl)amino)-, pyridinium
Database identifiers
- CAS
736075-74-4- PubChem CID
- 427503
- UNII
- UJP0F4X17Q
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 1
- Complexity
- 711
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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