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Home > Fluorides > 131883-38-0
131883-38-0 | Octanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-, octadecyl ester
CAS No: 131883-38-0 Catalog No: AG000ZVJ MDL No:
Product Description
Catalog Number:
AG000ZVJ
Chemical Name:
Octanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-, octadecyl ester
CAS Number:
131883-38-0
Molecular Formula:
C26H37F15O2
Molecular Weight:
666.5468
IUPAC Name:
octadecyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate
InChI:
InChI=1S/C26H37F15O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-43-19(42)20(27,28)21(29,30)22(31,32)23(33,34)24(35,36)25(37,38)26(39,40)41/h2-18H2,1H3
InChI Key:
WTSTWJMWBBUFJP-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCOC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Properties
Complexity:
811
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
666.255g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
17
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
666.556g/mol
Monoisotopic Mass:
666.255g/mol
Rotatable Bond Count:
24
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
14.1
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