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Home > Fluorides > 138762-92-2
138762-92-2 | Tetradecanoic acid, 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl ester
CAS No: 138762-92-2 Catalog No: AG0019HJ MDL No:
Product Description
Catalog Number:
AG0019HJ
Chemical Name:
Tetradecanoic acid, 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl ester
CAS Number:
138762-92-2
Molecular Formula:
C22H31F13O2
Molecular Weight:
574.4596
IUPAC Name:
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl tetradecanoate
InChI:
InChI=1S/C22H31F13O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(36)37-15-14-17(23,24)18(25,26)19(27,28)20(29,30)21(31,32)22(33,34)35/h2-15H2,1H3
InChI Key:
JJDYCNDGEPEDNR-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCC(=O)OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Properties
Complexity:
676
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
574.212g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
15
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
574.467g/mol
Monoisotopic Mass:
574.212g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.2
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