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89863-63-8 | 2,4-Pentanedione, 3-[1-(2-thienyl)-2-[(tridecafluorohexyl)sulfonyl]ethyl]-
CAS No: 89863-63-8 Catalog No: AG003X1H MDL No:
Product Description
Catalog Number:
AG003X1H
Chemical Name:
2,4-Pentanedione, 3-[1-(2-thienyl)-2-[(tridecafluorohexyl)sulfonyl]ethyl]-
CAS Number:
89863-63-8
Molecular Formula:
C17H13F13O4S2
Molecular Weight:
592.3920
IUPAC Name:
3-[1-thiophen-2-yl-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)ethyl]pentane-2,4-dione
InChI:
InChI=1S/C17H13F13O4S2/c1-7(31)11(8(2)32)9(10-4-3-5-35-10)6-36(33,34)17(29,30)15(24,25)13(20,21)12(18,19)14(22,23)16(26,27)28/h3-5,9,11H,6H2,1-2H3
InChI Key:
ZGLTUNFWMFVTOB-UHFFFAOYSA-N
SMILES:
CC(=O)C(C(c1cccs1)CS(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(=O)C
Properties
Complexity:
941
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
592.005g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
18
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
592.386g/mol
Monoisotopic Mass:
592.005g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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