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Home > Fluorides > 1443354-71-9
1443354-71-9 | 2',6'-Dimethyl-4'-ethoxy-2,2,2-trifluoroacetophenone
CAS No: 1443354-71-9 Catalog No: AG01F8KX MDL No:
Product Description
Catalog Number:
AG01F8KX
Chemical Name:
2',6'-Dimethyl-4'-ethoxy-2,2,2-trifluoroacetophenone
CAS Number:
1443354-71-9
Molecular Formula:
C12H13F3O2
Molecular Weight:
246.2256
IUPAC Name:
1-(4-ethoxy-2,6-dimethylphenyl)-2,2,2-trifluoroethanone
InChI:
InChI=1S/C12H13F3O2/c1-4-17-9-5-7(2)10(8(3)6-9)11(16)12(13,14)15/h5-6H,4H2,1-3H3
InChI Key:
RYHXEPYCRQXIFF-UHFFFAOYSA-N
SMILES:
CCOc1cc(C)c(c(c1)C)C(=O)C(F)(F)F
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.087g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.229g/mol
Monoisotopic Mass:
246.087g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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