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Home > Fluorides > 886369-93-3
886369-93-3 | 2,2,2-Trifluoro-1-(5-fluoro-2-methylphenyl);ethanone
CAS No: 886369-93-3 Catalog No: AG0049X6 MDL No:MFCD01320000
Product Description
Catalog Number:
AG0049X6
Chemical Name:
2,2,2-Trifluoro-1-(5-fluoro-2-methylphenyl);ethanone
CAS Number:
886369-93-3
Molecular Formula:
C9H6F4O
Molecular Weight:
206.1370
MDL Number:
MFCD01320000
IUPAC Name:
2,2,2-trifluoro-1-(5-fluoro-2-methylphenyl)ethanone
InChI:
InChI=1S/C9H6F4O/c1-5-2-3-6(10)4-7(5)8(14)9(11,12)13/h2-4H,1H3
InChI Key:
LFYBITAYSRVBLI-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)C(=O)C(F)(F)F)C
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.035g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.14g/mol
Monoisotopic Mass:
206.035g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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