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74728-95-3 | 2,3-Pentanedione,1,1,1,4,4,5,5,5-octafluoro-
CAS No: 74728-95-3 Catalog No: AG005HXS MDL No:
Product Description
Catalog Number:
AG005HXS
Chemical Name:
2,3-Pentanedione,1,1,1,4,4,5,5,5-octafluoro-
CAS Number:
74728-95-3
Molecular Formula:
C5F8O2
Molecular Weight:
244.0395
IUPAC Name:
1,1,1,4,4,5,5,5-octafluoropentane-2,3-dione
InChI:
InChI=1S/C5F8O2/c6-3(7,5(11,12)13)1(14)2(15)4(8,9)10
InChI Key:
DUBQXOQHBGMTRB-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)C(=O)C(C(F)(F)F)(F)F
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.977g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.04g/mol
Monoisotopic Mass:
243.977g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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