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142010-50-2 | Decane, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-10-isocyanato-
CAS No: 142010-50-2 Catalog No: AG001HJR MDL No:
Product Description
Catalog Number:
AG001HJR
Chemical Name:
Decane, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-10-isocyanato-
CAS Number:
142010-50-2
Molecular Formula:
C11H4F17NO
Molecular Weight:
489.1284
IUPAC Name:
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-10-isocyanatodecane
InChI:
InChI=1S/C11H4F17NO/c12-4(13,1-2-29-3-30)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h1-2H2
InChI Key:
XBIIIDIAZYSZBI-UHFFFAOYSA-N
SMILES:
O=C=NCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Properties
Complexity:
672
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
489.002g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
19
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
489.132g/mol
Monoisotopic Mass:
489.002g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.2
Literature
| Title | Journal |
|---|---|
| Reagent peak-free liquid chromatography-fluorescence analysis of carboxylic acids using a fluorous scavenging-derivatization method. | Analytical and bioanalytical chemistry 20100701 |
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