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Home > Fluorides > 1417508-45-2
1417508-45-2 | 2,2,2-Trifluoro-1-(3-fluoro-2-methoxyphenyl)ethanone
CAS No: 1417508-45-2 Catalog No: AG01F8J4 MDL No:
Product Description
Catalog Number:
AG01F8J4
Chemical Name:
2,2,2-Trifluoro-1-(3-fluoro-2-methoxyphenyl)ethanone
CAS Number:
1417508-45-2
Molecular Formula:
C9H6F4O2
Molecular Weight:
222.1364
IUPAC Name:
2,2,2-trifluoro-1-(3-fluoro-2-methoxyphenyl)ethanone
InChI:
InChI=1S/C9H6F4O2/c1-15-7-5(3-2-4-6(7)10)8(14)9(11,12)13/h2-4H,1H3
InChI Key:
CLUYIVLIFLYQDI-UHFFFAOYSA-N
SMILES:
COc1c(F)cccc1C(=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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