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Home > Fluorides > 119596-14-4
119596-14-4 | Hexadecanoic acid, 2,2,2-trifluoroethyl ester
CAS No: 119596-14-4 Catalog No: AG000P8H MDL No:
Product Description
Catalog Number:
AG000P8H
Chemical Name:
Hexadecanoic acid, 2,2,2-trifluoroethyl ester
CAS Number:
119596-14-4
Molecular Formula:
C18H33F3O2
Molecular Weight:
338.4486
IUPAC Name:
2,2,2-trifluoroethyl hexadecanoate
InChI:
InChI=1S/C18H33F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(22)23-16-18(19,20)21/h2-16H2,1H3
InChI Key:
COZIUYRFYCGXCL-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCC(=O)OCC(F)(F)F
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.243g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.455g/mol
Monoisotopic Mass:
338.243g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.6
Literature
| Title | Journal |
|---|---|
| Synthesis of very short chain lysophosphatidyloligodeoxynucleotides. | Bioconjugate chemistry 20060101 |
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