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Home > Fluorides > 845823-11-2
845823-11-2 | 2,2,2-Trifluoro-1-(4-methoxy-2-methylphenyl);ethanone
CAS No: 845823-11-2 Catalog No: AG0052AH MDL No:MFCD03844198
Product Description
Catalog Number:
AG0052AH
Chemical Name:
2,2,2-Trifluoro-1-(4-methoxy-2-methylphenyl);ethanone
CAS Number:
845823-11-2
Molecular Formula:
C10H9F3O2
Molecular Weight:
218.1725
MDL Number:
MFCD03844198
IUPAC Name:
2,2,2-trifluoro-1-(4-methoxy-2-methylphenyl)ethanone
InChI:
InChI=1S/C10H9F3O2/c1-6-5-7(15-2)3-4-8(6)9(14)10(11,12)13/h3-5H,1-2H3
InChI Key:
WXOOQBPXUNZARD-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)C)C(=O)C(F)(F)F
Properties
Complexity:
237
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:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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