4-[[4-[(2-Chloro-4-nitrophenoxy)methyl]cyclohexyl]methoxy]benzenesulfonyl fluoride
Basic information
- CAS
31278-66-7- Standard SMILES
O=[N+]([O-])c1ccc(OCC2CCC(COc3ccc(S(=O)(=O)F)cc3)CC2)c(Cl)c1- InChIKey
LSRXNIADKJLUOX-UHFFFAOYSA-N- Molecular formula
- C20H21ClFNO6S
- Average molar mass
- 457.9 g/mol
- Monoisotopic mass
- 457.0762144
Names & identifiers
- Preferred name
- 4-[[4-[(2-Chloro-4-nitrophenoxy)methyl]cyclohexyl]methoxy]benzenesulfonyl fluoride
- IUPAC
- 4-[[4-[(2-chloro-4-nitrophenoxy)methyl]cyclohexyl]methoxy]benzenesulfonyl fluoride
Names & synonyms
31278-66-7NSC2124054-[[4-[(2-chloro-4-nitrophenoxy)methyl]cyclohexyl]methoxy]benzenesulfonyl fluorideDTXSID60309622NSC-2124054-({4-[(2-Chloro-4-nitrophenoxy)methyl]cyclohexyl}methoxy)benzene-1-sulfonyl fluoride
Database identifiers
- CAS
31278-66-7- PubChem CID
- 309944
- DTXSID
DTXSID60309622
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 653
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Related reactions
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Compound notes
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