Basic information
- CAS
76848-59-4- Standard SMILES
O=S(=O)(c1ccc(Cl)cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
WIAOFRAJPPTYEE-UHFFFAOYSA-N- Molecular formula
- C12H4ClF13O2S
- Average molar mass
- 494.66 g/mol
- Monoisotopic mass
- 493.9412943
Names & identifiers
- Preferred name
- 1-Chloro-4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonyl)benzene
- IUPAC
- 1-chloro-4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)benzene
Names & synonyms
1-Chloro-4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonyl)benzeneDTXSID0089614776848-59-4RefChem:229412DTXCID701325640AKOS034450766NS00109030Z56755427
Database identifiers
- CAS
76848-59-4- PubChem CID
- 3544484
- DTXSID
DTXSID00896147
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 702
Experimental & physicochemical properties
PFAS
PFAS -> OECD Category
PFAS -> Other/unspecified
Chemistry & industry
Uses & manufacturing
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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