Benzenesulfonylfluoride, 4-[4-(2-chloro-5-nitrophenoxy)butoxy]-
Basic information
- CAS
31185-45-2- Standard SMILES
O=[N+]([O-])c1ccc(Cl)c(OCCCCOc2ccc(S(=O)(=O)F)cc2)c1- InChIKey
NCYSKIOGBRPBDO-UHFFFAOYSA-N- Molecular formula
- C16H15ClFNO6S
- Average molar mass
- 403.8 g/mol
- Monoisotopic mass
- 403.0292642
Names & identifiers
- Preferred name
- Benzenesulfonylfluoride, 4-[4-(2-chloro-5-nitrophenoxy)butoxy]-
- IUPAC
- 4-[4-(2-chloro-5-nitrophenoxy)butoxy]benzenesulfonyl fluoride
Names & synonyms
31185-45-24-(4-(2-Chloro-5-nitrophenoxy)butoxy)benzene-1-sulfonyl fluoride4-[4-(2-Chloro-5-nitrophenoxy)butoxy]benzene-1-sulfonyl fluorideNSC212369starbld0019489Benzenesulfonylfluoride, 4-[4-(2-chloro-5-nitrophenoxy)butoxy]-DTXSID80309588NSC-212369
Database identifiers
- CAS
31185-45-2- PubChem CID
- 309908
- DTXSID
DTXSID80309588
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 544
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Compound notes
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