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73744-44-2 | Ethanone,2-fluoro-1-(4-methoxyphenyl)-
CAS No: 73744-44-2 Catalog No: AG005LJL MDL No:
Product Description
Catalog Number:
AG005LJL
Chemical Name:
Ethanone,2-fluoro-1-(4-methoxyphenyl)-
CAS Number:
73744-44-2
Molecular Formula:
C9H9FO2
Molecular Weight:
168.1650
IUPAC Name:
2-fluoro-1-(4-methoxyphenyl)ethanone
InChI:
InChI=1S/C9H9FO2/c1-12-8-4-2-7(3-5-8)9(11)6-10/h2-5H,6H2,1H3
InChI Key:
GEOAUHVMWOIYFY-UHFFFAOYSA-N
SMILES:
FCC(=O)c1ccc(cc1)OC
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.059g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.167g/mol
Monoisotopic Mass:
168.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Theoretical and experimental investigation on the rotational isomerism in alpha-fluoroacetophenones. | The journal of physical chemistry. A 20090326 |
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