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Home > Fluorides > 113999-61-4
113999-61-4 | 9-Octadecene, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-, (E)- (9CI)
CAS No: 113999-61-4 Catalog No: AG000A90 MDL No:
Product Description
Catalog Number:
AG000A90
Chemical Name:
9-Octadecene, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-, (E)- (9CI)
CAS Number:
113999-61-4
Molecular Formula:
C18H19F17
Molecular Weight:
558.3163
IUPAC Name:
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorooctadec-9-ene
InChI:
InChI=1S/C18H19F17/c1-2-3-4-5-6-7-8-9-10-11(19,20)12(21,22)13(23,24)14(25,26)15(27,28)16(29,30)17(31,32)18(33,34)35/h9-10H,2-8H2,1H3
InChI Key:
YDKKPMDGMXMFMV-UHFFFAOYSA-N
SMILES:
CCCCCCCC/C=C/C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Properties
Complexity:
702
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
558.122g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
17
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
558.323g/mol
Monoisotopic Mass:
558.122g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
10.6
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