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Home > Fluorides > 132734-54-4
132734-54-4 | Ethanone, 2,2,2-trifluoro-1-(3-fluoro-4-methoxyphenyl)-
CAS No: 132734-54-4 Catalog No: AG001136 MDL No:MFCD06201802
Product Description
Catalog Number:
AG001136
Chemical Name:
Ethanone, 2,2,2-trifluoro-1-(3-fluoro-4-methoxyphenyl)-
CAS Number:
132734-54-4
Molecular Formula:
C9H6F4O2
Molecular Weight:
222.1364
MDL Number:
MFCD06201802
IUPAC Name:
2,2,2-trifluoro-1-(3-fluoro-4-methoxyphenyl)ethanone
InChI:
InChI=1S/C9H6F4O2/c1-15-7-3-2-5(4-6(7)10)8(14)9(11,12)13/h2-4H,1H3
InChI Key:
KCKNISJJNZGMMP-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1F)C(=O)C(F)(F)F
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.03g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.139g/mol
Monoisotopic Mass:
222.03g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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