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77386-64-2 | Pentanedioic acid, bis(pentafluorophenyl) ester
CAS No: 77386-64-2 Catalog No: AG008MZJ MDL No:
Product Description
Catalog Number:
AG008MZJ
Chemical Name:
Pentanedioic acid, bis(pentafluorophenyl) ester
CAS Number:
77386-64-2
Molecular Formula:
C17H6F10O4
Molecular Weight:
464.2112
IUPAC Name:
bis(2,3,4,5,6-pentafluorophenyl) pentanedioate
InChI:
InChI=1S/C17H6F10O4/c18-6-8(20)12(24)16(13(25)9(6)21)30-4(28)2-1-3-5(29)31-17-14(26)10(22)7(19)11(23)15(17)27/h1-3H2
InChI Key:
LVYLPGPDVUJXID-UHFFFAOYSA-N
SMILES:
O=C(Oc1c(F)c(F)c(c(c1F)F)F)CCCC(=O)Oc1c(F)c(F)c(c(c1F)F)F
Properties
Complexity:
558
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
464.011g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
14
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
464.215g/mol
Monoisotopic Mass:
464.011g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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