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Home > Fluorides > 1256482-58-2
1256482-58-2 | 2,2,2-Trifluoro-1-(4-methoxy-2,5-dimethylphenyl)ethanone
CAS No: 1256482-58-2 Catalog No: AG01F7G7 MDL No:
Product Description
Catalog Number:
AG01F7G7
Chemical Name:
2,2,2-Trifluoro-1-(4-methoxy-2,5-dimethylphenyl)ethanone
CAS Number:
1256482-58-2
Molecular Formula:
C11H11F3O2
Molecular Weight:
232.1990
IUPAC Name:
2,2,2-trifluoro-1-(4-methoxy-2,5-dimethylphenyl)ethanone
InChI:
InChI=1S/C11H11F3O2/c1-6-5-9(16-3)7(2)4-8(6)10(15)11(12,13)14/h4-5H,1-3H3
InChI Key:
KJJMPASOVZMTNA-UHFFFAOYSA-N
SMILES:
COc1cc(C)c(cc1C)C(=O)C(F)(F)F
Properties
Complexity:
262
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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