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Home > Fluorides > 128306-96-7
128306-96-7 | Ethanone, 2-(methylsulfonyl)-1-[3-(trifluoromethyl)phenyl]-
CAS No: 128306-96-7 Catalog No: AG000XYP MDL No:MFCD00665597
Product Description
Catalog Number:
AG000XYP
Chemical Name:
Ethanone, 2-(methylsulfonyl)-1-[3-(trifluoromethyl)phenyl]-
CAS Number:
128306-96-7
Molecular Formula:
C10H9F3O3S
Molecular Weight:
266.2369
MDL Number:
MFCD00665597
IUPAC Name:
2-methylsulfonyl-1-[3-(trifluoromethyl)phenyl]ethanone
InChI:
InChI=1S/C10H9F3O3S/c1-17(15,16)6-9(14)7-3-2-4-8(5-7)10(11,12)13/h2-5H,6H2,1H3
InChI Key:
DKOAKSYPFZFHMT-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1)C(F)(F)F)CS(=O)(=O)C
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.022g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.234g/mol
Monoisotopic Mass:
266.022g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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