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139623-27-1 | 1,2-Pyrenedicarboxylic acid, 1,2-bis[(2,3,5,6-tetrafluorophenyl)methyl] ester
CAS No: 139623-27-1 Catalog No: AG001BE3 MDL No:
Product Description
Catalog Number:
AG001BE3
Chemical Name:
1,2-Pyrenedicarboxylic acid, 1,2-bis[(2,3,5,6-tetrafluorophenyl)methyl] ester
CAS Number:
139623-27-1
Molecular Formula:
C32H14F8O4
Molecular Weight:
614.4384
IUPAC Name:
bis[(2,3,5,6-tetrafluorophenyl)methyl] pyrene-1,2-dicarboxylate
InChI:
InChI=1S/C32H14F8O4/c33-20-9-21(34)28(38)18(27(20)37)11-43-31(41)17-8-15-5-4-13-2-1-3-14-6-7-16(25(15)24(13)14)26(17)32(42)44-12-19-29(39)22(35)10-23(36)30(19)40/h1-10H,11-12H2
InChI Key:
GFKKVDQVNUUYOK-UHFFFAOYSA-N
SMILES:
Fc1c(F)cc(c(c1COC(=O)c1cc2ccc3c4c2c(c1C(=O)OCc1c(F)c(F)cc(c1F)F)ccc4ccc3)F)F
Properties
Complexity:
1020
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
614.076g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
614.447g/mol
Monoisotopic Mass:
614.076g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.5
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