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Home > Fluorides > 191213-11-3
191213-11-3 | Disulfide, octyl 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl (9CI)
CAS No: 191213-11-3 Catalog No: AG002F3V MDL No:
Product Description
Catalog Number:
AG002F3V
Chemical Name:
Disulfide, octyl 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl (9CI)
CAS Number:
191213-11-3
Molecular Formula:
C16H21F13S2
Molecular Weight:
524.4472
IUPAC Name:
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-(octyldisulfanyl)octane
InChI:
InChI=1S/C16H21F13S2/c1-2-3-4-5-6-7-9-30-31-10-8-11(17,18)12(19,20)13(21,22)14(23,24)15(25,26)16(27,28)29/h2-10H2,1H3
InChI Key:
XCIBTBKBVLRWHT-UHFFFAOYSA-N
SMILES:
CCCCCCCCSSCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Properties
Complexity:
532
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
524.088g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
15
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
524.443g/mol
Monoisotopic Mass:
524.088g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.2
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