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potassium heptadecafluorooctane-1-sulfonate
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ChemBase ID:
12122
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Molecular Formular:
C8F17KO3S
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Molecular Mass:
538.2199544
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Monoisotopic Mass:
537.89337628
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SMILES and InChIs
SMILES:
C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(S(=O)(=O)[O-])(F)F.[K+]
Canonical SMILES:
FC(C(C(C(C(S(=O)(=O)[O-])(F)F)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)F.[K+]
InChI:
InChI=1S/C8HF17O3S.K/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28;/h(H,26,27,28);/q;+1/p-1
InChIKey:
WFRUBUQWJYMMRQ-UHFFFAOYSA-M
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Cite this record
CBID:12122 http://www.chembase.cn/molecule-12122.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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potassium heptadecafluorooctane-1-sulfonate
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IUPAC Traditional name
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potassium heptadecafluorooctane-1-sulfonate
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potassium ion heptadecafluorooctane-1-sulfonate
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potassium perfluorooctane sulfonate
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Synonyms
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Potassium perfluorooctanesulfonate
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PERFLUOROOCTANESULPHONIC ACID POTASSIUM SALT
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Perfluorooctanesulfonic acid potassium salt
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Potassium heptadecafluoro-1-octanesulfonate
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Heptadecafluorooctanesulfonic acid potassium salt
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Fluorad 95
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Fluortensid FT 800
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Megafac F 110
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Megafac F 116
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Potassium Heptadecafluorooctane-1-sulfonate
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Potassium Perfluorooctanesulfonate
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Potassium Perfluorooctylsulfonate
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EF 102
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Eftop EF 102
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F 110
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F 116
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FC 95
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Heptadecafluorooctanesulfonic Acid Potassium Salt
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1,1,2,,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluoro-1-octanesulfonic Acid Potassium Salt
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全氟正辛基磺酸 钾盐
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十七氟辛烷磺酸钾
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全氟辛基磺酸 钾盐
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CAS Number
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EC Number
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MDL Number
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Beilstein Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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-3.3242528
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H Acceptors
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3
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H Donor
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0
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LogD (pH = 5.5)
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3.0534294
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LogD (pH = 7.4)
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3.0534291
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Log P
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5.4298277
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Molar Refractivity
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49.8572 cm3
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Polarizability
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20.81871 Å3
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Polar Surface Area
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57.2 Å2
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Rotatable Bonds
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8
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Lipinski's Rule of Five
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false
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DETAILS
DETAILS
Sigma Aldrich
TRC
Toronto Research Chemicals -
H268700
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Heptadecafluorooctanesulfonic Acid (PFOS) is a persistent environmental pollutant that may cause adverse health effects in humans. |
REFERENCES
REFERENCES
From Suppliers
Google Scholar
PubMed
Google Books
- • Xu, L., et al.: Drug Metab. Dispos., 34, 1406 (2006)
- • Lau, C., et al.: Toxicol. Sci., 99, 366 (2006)
- • Paul, A., et al.: Environ. Sci. Technol., 43, 386 (2006)
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PATENTS
PATENTS
PubChem Patent
Google Patent