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Home > Fluorides > 1417460-98-0
1417460-98-0 | 2,2,2-Trifluoro-1-(4-methoxy-2,6-dimethylphenyl)ethanone
CAS No: 1417460-98-0 Catalog No: AG01F7JF MDL No:
Product Description
Catalog Number:
AG01F7JF
Chemical Name:
2,2,2-Trifluoro-1-(4-methoxy-2,6-dimethylphenyl)ethanone
CAS Number:
1417460-98-0
Molecular Formula:
C11H11F3O2
Molecular Weight:
232.1990
IUPAC Name:
2,2,2-trifluoro-1-(4-methoxy-2,6-dimethylphenyl)ethanone
InChI:
InChI=1S/C11H11F3O2/c1-6-4-8(16-3)5-7(2)9(6)10(15)11(12,13)14/h4-5H,1-3H3
InChI Key:
PRRKLMNOWBVDKE-UHFFFAOYSA-N
SMILES:
COc1cc(C)c(c(c1)C)C(=O)C(F)(F)F
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.071g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.202g/mol
Monoisotopic Mass:
232.071g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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