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20825-07-4 | 2,4-Hexanedione, 1,1,1,5,5,6,6,6-octafluoro-
CAS No: 20825-07-4 Catalog No: AG002JM2 MDL No:MFCD00041014
Product Description
Catalog Number:
AG002JM2
Chemical Name:
2,4-Hexanedione, 1,1,1,5,5,6,6,6-octafluoro-
CAS Number:
20825-07-4
Molecular Formula:
C6H2F8O2
Molecular Weight:
258.0661
MDL Number:
MFCD00041014
IUPAC Name:
1,1,1,5,5,6,6,6-octafluorohexane-2,4-dione
InChI:
InChI=1S/C6H2F8O2/c7-4(8,6(12,13)14)2(15)1-3(16)5(9,10)11/h1H2
InChI Key:
MGKBKOFWQWACLM-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)CC(=O)C(C(F)(F)F)(F)F
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.993g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.067g/mol
Monoisotopic Mass:
257.993g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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