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Home > Fluorides > 107713-64-4
107713-64-4 | 4'-(Trifluoromethoxy)-2,2,2-trifluoroacetophenone
CAS No: 107713-64-4 Catalog No: AG01F95X MDL No:
Product Description
Catalog Number:
AG01F95X
Chemical Name:
4'-(Trifluoromethoxy)-2,2,2-trifluoroacetophenone
CAS Number:
107713-64-4
Molecular Formula:
C9H4F6O2
Molecular Weight:
258.1173
IUPAC Name:
2,2,2-trifluoro-1-[4-(trifluoromethoxy)phenyl]ethanone
InChI:
InChI=1S/C9H4F6O2/c10-8(11,12)7(16)5-1-3-6(4-2-5)17-9(13,14)15/h1-4H
InChI Key:
PKAKYLIZPZIQAC-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)c1ccc(cc1)OC(F)(F)F
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.012g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.119g/mol
Monoisotopic Mass:
258.012g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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