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Home > Fluorides > 1417461-75-6
1417461-75-6 | 2,2,2-Trifluoro-1-(3-fluoro-4-trifluoromethoxy-phenyl)-ethanone
CAS No: 1417461-75-6 Catalog No: AG01F622 MDL No:
Product Description
Catalog Number:
AG01F622
Chemical Name:
2,2,2-Trifluoro-1-(3-fluoro-4-trifluoromethoxy-phenyl)-ethanone
CAS Number:
1417461-75-6
Molecular Formula:
C9H3F7O2
Molecular Weight:
276.1077
IUPAC Name:
2,2,2-trifluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]ethanone
InChI:
InChI=1S/C9H3F7O2/c10-5-3-4(7(17)8(11,12)13)1-2-6(5)18-9(14,15)16/h1-3H
InChI Key:
SPSUJMUYTFIBSD-UHFFFAOYSA-N
SMILES:
Fc1cc(ccc1OC(F)(F)F)C(=O)C(F)(F)F
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.002g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.11g/mol
Monoisotopic Mass:
276.002g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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