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Home > Fluorides > 141478-89-9
141478-89-9 | Cyclohexanone, 2-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-1-oxoheptyl)-
CAS No: 141478-89-9 Catalog No: AG001GFZ MDL No:MFCD07779555
Product Description
Catalog Number:
AG001GFZ
Chemical Name:
Cyclohexanone, 2-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-1-oxoheptyl)-
CAS Number:
141478-89-9
Molecular Formula:
C13H9F13O2
Molecular Weight:
444.1886
MDL Number:
MFCD07779555
IUPAC Name:
2-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoyl)cyclohexan-1-one
InChI:
InChI=1S/C13H9F13O2/c14-8(15,7(28)5-3-1-2-4-6(5)27)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26/h5H,1-4H2
InChI Key:
ZSCSEYRTJFTOQR-UHFFFAOYSA-N
SMILES:
O=C1CCCCC1C(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Properties
Complexity:
635
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
444.039g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
15
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
444.192g/mol
Monoisotopic Mass:
444.039g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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