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Home > Fluorides > 136909-72-3
136909-72-3 | 2-Hexanone, 4,4,5,5,6,6,6-heptafluoro-
CAS No: 136909-72-3 Catalog No: AG0012JG MDL No:MFCD00153185
Product Description
Catalog Number:
AG0012JG
Chemical Name:
2-Hexanone, 4,4,5,5,6,6,6-heptafluoro-
CAS Number:
136909-72-3
Molecular Formula:
C6H5F7O
Molecular Weight:
226.0921
MDL Number:
MFCD00153185
IUPAC Name:
4,4,5,5,6,6,6-heptafluorohexan-2-one
InChI:
InChI=1S/C6H5F7O/c1-3(14)2-4(7,8)5(9,10)6(11,12)13/h2H2,1H3
InChI Key:
HXAYZDVVQAKLDA-UHFFFAOYSA-N
SMILES:
CC(=O)CC(C(C(F)(F)F)(F)F)(F)F
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.023g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.094g/mol
Monoisotopic Mass:
226.023g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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