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Home > Fluorides > 208663-34-7
208663-34-7 | Octanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-, phenylmethyl ester
CAS No: 208663-34-7 Catalog No: AG002JTP MDL No:
Product Description
Catalog Number:
AG002JTP
Chemical Name:
Octanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-, phenylmethyl ester
CAS Number:
208663-34-7
Molecular Formula:
C15H7F15O2
Molecular Weight:
504.1909
IUPAC Name:
benzyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate
InChI:
InChI=1S/C15H7F15O2/c16-9(17,8(31)32-6-7-4-2-1-3-5-7)10(18,19)11(20,21)12(22,23)13(24,25)14(26,27)15(28,29)30/h1-5H,6H2
InChI Key:
GTOYQMRWLDFWMS-UHFFFAOYSA-N
SMILES:
O=C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OCc1ccccc1
Properties
Complexity:
677
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
504.021g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
17
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
504.195g/mol
Monoisotopic Mass:
504.021g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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