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117322-88-0 | 2-Propanone, 1-[3-(trifluoromethyl)phenoxy]-
CAS No: 117322-88-0 Catalog No: AG000E43 MDL No:
Product Description
Catalog Number:
AG000E43
Chemical Name:
2-Propanone, 1-[3-(trifluoromethyl)phenoxy]-
CAS Number:
117322-88-0
Molecular Formula:
C10H9F3O2
Molecular Weight:
218.1725
IUPAC Name:
1-[3-(trifluoromethyl)phenoxy]propan-2-one
InChI:
InChI=1S/C10H9F3O2/c1-7(14)6-15-9-4-2-3-8(5-9)10(11,12)13/h2-5H,6H2,1H3
InChI Key:
LFGYKNVJPGEVMJ-UHFFFAOYSA-N
SMILES:
CC(=O)COc1cccc(c1)C(F)(F)F
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.055g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.175g/mol
Monoisotopic Mass:
218.055g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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