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86525-43-1 | Thiophene, 2-[2-[(tridecafluorohexyl)sulfonyl]ethenyl]-
CAS No: 86525-43-1 Catalog No: AG004LXI MDL No:
Product Description
Catalog Number:
AG004LXI
Chemical Name:
Thiophene, 2-[2-[(tridecafluorohexyl)sulfonyl]ethenyl]-
CAS Number:
86525-43-1
Molecular Formula:
C12H5F13O2S2
Molecular Weight:
492.2761
IUPAC Name:
2-[2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)ethenyl]thiophene
InChI:
InChI=1S/C12H5F13O2S2/c13-7(14,9(17,18)11(21,22)23)8(15,16)10(19,20)12(24,25)29(26,27)5-3-6-2-1-4-28-6/h1-5H
InChI Key:
PDMXFEXNVWOJQT-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)C=Cc1cccs1
Properties
Complexity:
734
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
491.952g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
16
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
492.269g/mol
Monoisotopic Mass:
491.952g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.9
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