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75822-11-6 | Ethanone,2,2,2-trifluoro-1-(4-methoxy-3-methylphenyl)-
CAS No: 75822-11-6 Catalog No: AG0059YX MDL No:MFCD02260834
Product Description
Catalog Number:
AG0059YX
Chemical Name:
Ethanone,2,2,2-trifluoro-1-(4-methoxy-3-methylphenyl)-
CAS Number:
75822-11-6
Molecular Formula:
C10H9F3O2
Molecular Weight:
218.1725
MDL Number:
MFCD02260834
IUPAC Name:
2,2,2-trifluoro-1-(4-methoxy-3-methylphenyl)ethanone
InChI:
InChI=1S/C10H9F3O2/c1-6-5-7(3-4-8(6)15-2)9(14)10(11,12)13/h3-5H,1-2H3
InChI Key:
KCQDIOQETYWJRX-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1C)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:
3.6
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