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85284-17-9 | Benzenesulfonic acid,4-[[3,3,3-trifluoro-1-(1,1,2,2,2-pentafluoroethyl)-2-(trifluoromethyl)-1-propen-1-yl]oxy]-,sodium salt (1:1)
CAS No: 85284-17-9 Catalog No: AG004UVW MDL No:
Product Description
Catalog Number:
AG004UVW
Chemical Name:
Benzenesulfonic acid,4-[[3,3,3-trifluoro-1-(1,1,2,2,2-pentafluoroethyl)-2-(trifluoromethyl)-1-propen-1-yl]oxy]-,sodium salt (1:1)
CAS Number:
85284-17-9
Molecular Formula:
C12H4F11NaO4S
Molecular Weight:
476.1950
IUPAC Name:
sodium;4-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]oxybenzenesulfonate
InChI:
InChI=1S/C12H5F11O4S.Na/c13-9(14,12(21,22)23)8(7(10(15,16)17)11(18,19)20)27-5-1-3-6(4-2-5)28(24,25)26;/h1-4H,(H,24,25,26);/q;+1/p-1
InChI Key:
VLOGHPGPUCKSEA-UHFFFAOYSA-M
SMILES:
FC(C(=C(C(C(F)(F)F)(F)F)Oc1ccc(cc1)S(=O)(=O)[O-])C(F)(F)F)(F)F.[Na+]
EC Number:
286-636-1
Properties
Complexity:
679
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
475.955g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
15
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
476.192g/mol
Monoisotopic Mass:
475.955g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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