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189196-62-1 | Phenol, 4-[(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosafluorododecyl)thio]-
CAS No: 189196-62-1 Catalog No: AG002I1E MDL No:
Product Description
Catalog Number:
AG002I1E
Chemical Name:
Phenol, 4-[(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosafluorododecyl)thio]-
CAS Number:
189196-62-1
Molecular Formula:
C18H5F25OS
Molecular Weight:
744.2568
IUPAC Name:
4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosafluorododecylsulfanyl)phenol
InChI:
InChI=1S/C18H5F25OS/c19-7(20,9(23,24)11(27,28)13(31,32)15(35,36)17(39,40)41)8(21,22)10(25,26)12(29,30)14(33,34)16(37,38)18(42,43)45-6-3-1-5(44)2-4-6/h1-4,44H
InChI Key:
ULFZNKWSSJLAES-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)SC(C(C(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
Properties
Complexity:
1050
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
743.966g/mol
Formal Charge:
0
Heavy Atom Count:
45
Hydrogen Bond Acceptor Count:
27
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
744.257g/mol
Monoisotopic Mass:
743.966g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.7
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