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4001-29-0 | Bis(1H,1H,11H-Perfluoroundecyl)sulfate
CAS No: 4001-29-0 Catalog No: AG01F50L MDL No:MFCD00153661
Product Description
Catalog Number:
AG01F50L
Chemical Name:
Bis(1H,1H,11H-Perfluoroundecyl)sulfate
CAS Number:
4001-29-0
Molecular Formula:
C22H6F40O4S
Molecular Weight:
1126.2818
MDL Number:
MFCD00153661
IUPAC Name:
bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecyl) sulfate
InChI:
InChI=1S/C22H6F40O4S/c23-3(24)7(31,32)11(39,40)15(47,48)19(55,56)21(59,60)17(51,52)13(43,44)9(35,36)5(27,28)1-65-67(63,64)66-2-6(29,30)10(37,38)14(45,46)18(53,54)22(61,62)20(57,58)16(49,50)12(41,42)8(33,34)4(25)26/h3-4H,1-2H2
InChI Key:
LPSCZEZGYNWAJV-UHFFFAOYSA-N
SMILES:
FC(C(C(C(C(C(C(C(C(C(COS(=O)(=O)OCC(C(C(C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
Properties
Complexity:
1730
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1125.935g/mol
Formal Charge:
0
Heavy Atom Count:
67
Hydrogen Bond Acceptor Count:
44
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
1126.282g/mol
Monoisotopic Mass:
1125.935g/mol
Rotatable Bond Count:
24
Topological Polar Surface Area:
61A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
13.5
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