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133921-07-0 | 1,4-Benzenedicarboxylic acid, bis(pentafluorophenyl) ester
CAS No: 133921-07-0 Catalog No: AG007MNL MDL No:MFCD20274437
Product Description
Catalog Number:
AG007MNL
Chemical Name:
1,4-Benzenedicarboxylic acid, bis(pentafluorophenyl) ester
CAS Number:
133921-07-0
Molecular Formula:
C20H4F10O4
Molecular Weight:
498.2274
MDL Number:
MFCD20274437
IUPAC Name:
bis(2,3,4,5,6-pentafluorophenyl) benzene-1,4-dicarboxylate
InChI:
InChI=1S/C20H4F10O4/c21-7-9(23)13(27)17(14(28)10(7)24)33-19(31)5-1-2-6(4-3-5)20(32)34-18-15(29)11(25)8(22)12(26)16(18)30/h1-4H
InChI Key:
PYBORXJNAPMJTD-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)C(=O)Oc1c(F)c(F)c(c(c1F)F)F)Oc1c(F)c(F)c(c(c1F)F)F
Properties
Complexity:
646
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
497.995g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
14
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
498.232g/mol
Monoisotopic Mass:
497.995g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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