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138522-77-7 | 1,2,4,5-Benzenetetracarboxylic acid, 3,6-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-
CAS No: 138522-77-7 Catalog No: AG0019DO MDL No:
Product Description
Catalog Number:
AG0019DO
Chemical Name:
1,2,4,5-Benzenetetracarboxylic acid, 3,6-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-
CAS Number:
138522-77-7
Molecular Formula:
C22H4F26O8
Molecular Weight:
890.2208
IUPAC Name:
3,6-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)benzene-1,2,4,5-tetracarboxylic acid
InChI:
InChI=1S/C22H4F26O8/c23-11(24,13(27,28)15(31,32)17(35,36)19(39,40)21(43,44)45)5-1(7(49)50)2(8(51)52)6(4(10(55)56)3(5)9(53)54)12(25,26)14(29,30)16(33,34)18(37,38)20(41,42)22(46,47)48/h(H,49,50)(H,51,52)(H,53,54)(H,55,56)
InChI Key:
VFCKSAAIBBKXDN-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(c(C(=O)O)c(c(c1C(=O)O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(=O)O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Properties
Complexity:
1410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
889.949g/mol
Formal Charge:
0
Heavy Atom Count:
56
Hydrogen Bond Acceptor Count:
34
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
890.224g/mol
Monoisotopic Mass:
889.949g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
149A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.5
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