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86525-51-1 | Benzene, 1-methyl-4-[2-[(tridecafluorohexyl)sulfonyl]ethenyl]-
CAS No: 86525-51-1 Catalog No: AG004V7B MDL No:
Product Description
Catalog Number:
AG004V7B
Chemical Name:
Benzene, 1-methyl-4-[2-[(tridecafluorohexyl)sulfonyl]ethenyl]-
CAS Number:
86525-51-1
Molecular Formula:
C15H9F13O2S
Molecular Weight:
500.2750
IUPAC Name:
1-methyl-4-[2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)ethenyl]benzene
InChI:
InChI=1S/C15H9F13O2S/c1-8-2-4-9(5-3-8)6-7-31(29,30)15(27,28)13(22,23)11(18,19)10(16,17)12(20,21)14(24,25)26/h2-7H,1H3
InChI Key:
ZNMBSYHEOLVZLE-UHFFFAOYSA-N
SMILES:
FC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(S(=O)(=O)C=Cc1ccc(cc1)C)F
Properties
Complexity:
770
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
500.012g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
15
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
500.274g/mol
Monoisotopic Mass:
500.012g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
6.5
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