Benzenesulfonylfluoride, 4-[2-[2-(2-chloro-4-nitrophenoxy)ethoxy]ethoxy]-

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Basic information

CAS: 31191-52-3
Standard SMILES: O=[N+]([O-])c1ccc(OCCOCCOc2ccc(S(=O)(=O)F)cc2)c(Cl)c1
InChIKey: HFPBKTXHEIHVKA-UHFFFAOYSA-N
Molecular formula: C16H15ClFNO7S
Average molar mass: 419.8 g/mol
Monoisotopic mass: 419.0241788

Names & identifiers

Preferred name: Benzenesulfonylfluoride, 4-[2-[2-(2-chloro-4-nitrophenoxy)ethoxy]ethoxy]-
IUPAC: 4-[2-[2-(2-chloro-4-nitrophenoxy)ethoxy]ethoxy]benzenesulfonyl fluoride

Names & synonyms

31191-52-34-(2-(2-(2-Chloro-4-nitrophenoxy)ethoxy)ethoxy)benzene-1-sulfonyl fluoride4-{2-[2-(2-Chloro-4-nitrophenoxy)ethoxy]ethoxy}benzene-1-sulfonyl fluorideNSC212409starbld0019484Benzenesulfonylfluoride, 4-[2-[2-(2-chloro-4-nitrophenoxy)ethoxy]ethoxy]-DTXSID00309626NSC-212409

Database identifiers

CAS: 31191-52-3
PubChem CID: 309948
DTXSID: DTXSID00309626

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 116 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 8
Rotatable bonds: 9
Heavy atoms: 27
Formal charge: 0
Complexity: 560

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Compound notes

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