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137300-28-8 | 1,2-Pyrenedicarboxylic acid, 1,2-bis[(2,3,4,5,6-pentafluorophenyl)methyl] ester
CAS No: 137300-28-8 Catalog No: AG00132F MDL No:
Product Description
Catalog Number:
AG00132F
Chemical Name:
1,2-Pyrenedicarboxylic acid, 1,2-bis[(2,3,4,5,6-pentafluorophenyl)methyl] ester
CAS Number:
137300-28-8
Molecular Formula:
C32H12F10O4
Molecular Weight:
650.4193
IUPAC Name:
bis[(2,3,4,5,6-pentafluorophenyl)methyl] pyrene-1,2-dicarboxylate
InChI:
InChI=1S/C32H12F10O4/c33-21-16(22(34)26(38)29(41)25(21)37)9-45-31(43)15-8-13-5-4-11-2-1-3-12-6-7-14(19(13)18(11)12)20(15)32(44)46-10-17-23(35)27(39)30(42)28(40)24(17)36/h1-8H,9-10H2
InChI Key:
TYXOTOKDHSMAII-UHFFFAOYSA-N
SMILES:
Fc1c(COC(=O)c2cc3ccc4c5c3c(c2C(=O)OCc2c(F)c(F)c(c(c2F)F)F)ccc5ccc4)c(F)c(c(c1F)F)F
Properties
Complexity:
1090
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
650.058g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
14
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
650.428g/mol
Monoisotopic Mass:
650.058g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.7
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