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89863-49-0 | Furan, 2-[1-(phenylthio)-2-[(tridecafluorohexyl)sulfonyl]ethyl]-
CAS No: 89863-49-0 Catalog No: AG003WHM MDL No:
Product Description
Catalog Number:
AG003WHM
Chemical Name:
Furan, 2-[1-(phenylthio)-2-[(tridecafluorohexyl)sulfonyl]ethyl]-
CAS Number:
89863-49-0
Molecular Formula:
C18H11F13O3S2
Molecular Weight:
586.3874
IUPAC Name:
2-[1-phenylsulfanyl-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)ethyl]furan
InChI:
InChI=1S/C18H11F13O3S2/c19-13(20,15(23,24)17(27,28)29)14(21,22)16(25,26)18(30,31)36(32,33)9-12(11-7-4-8-34-11)35-10-5-2-1-3-6-10/h1-8,12H,9H2
InChI Key:
ROQUZKWQPLZUAG-UHFFFAOYSA-N
SMILES:
O=S(=O)(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CC(c1ccco1)Sc1ccccc1
Properties
Complexity:
862
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
585.994g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
17
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
586.382g/mol
Monoisotopic Mass:
585.994g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
81A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7
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