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Home > Fluorides > 1443349-44-7
1443349-44-7 | 4'-Ethoxy-3',5'-dimethyl-2,2,2-trifluoroacetophenone
CAS No: 1443349-44-7 Catalog No: AG01F8KL MDL No:
Product Description
Catalog Number:
AG01F8KL
Chemical Name:
4'-Ethoxy-3',5'-dimethyl-2,2,2-trifluoroacetophenone
CAS Number:
1443349-44-7
Molecular Formula:
C12H13F3O2
Molecular Weight:
246.2256
IUPAC Name:
1-(4-ethoxy-3,5-dimethylphenyl)-2,2,2-trifluoroethanone
InChI:
InChI=1S/C12H13F3O2/c1-4-17-10-7(2)5-9(6-8(10)3)11(16)12(13,14)15/h5-6H,4H2,1-3H3
InChI Key:
PZVBUCIVSPSAAL-UHFFFAOYSA-N
SMILES:
CCOc1c(C)cc(cc1C)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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