(4-Propan-2-ylphenyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
Basic information
- CAS
93131-75-0- Standard SMILES
CC(C)c1ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1- InChIKey
QSRYPUFKUWSEPP-UHFFFAOYSA-N- Molecular formula
- C13H11F9O3S
- Average molar mass
- 418.28 g/mol
- Monoisotopic mass
- 418.02851884
Names & identifiers
- Preferred name
- (4-Propan-2-ylphenyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
- IUPAC
- (4-propan-2-ylphenyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
Names & synonyms
93131-75-0(4-propan-2-ylphenyl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonateDTXSID00330475RefChem:209014DTXCID60281570NSC263698NSC-2636984-(Propan-2-yl)phenyl nonafluorobutane-1-sulfonate
Database identifiers
- CAS
93131-75-0- PubChem CID
- 429735
- DTXSID
DTXSID00330475
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 585
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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