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Home > Fluorides > 126443-11-6
126443-11-6 | 2-Propen-1-one, 1-(4-fluorophenyl)-3-(4-methoxyphenyl)-, (2E)-
CAS No: 126443-11-6 Catalog No: AG000STI MDL No:
Product Description
Catalog Number:
AG000STI
Chemical Name:
2-Propen-1-one, 1-(4-fluorophenyl)-3-(4-methoxyphenyl)-, (2E)-
CAS Number:
126443-11-6
Molecular Formula:
C16H13FO2
Molecular Weight:
256.2716
IUPAC Name:
1-(4-fluorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
InChI:
InChI=1S/C16H13FO2/c1-19-15-9-2-12(3-10-15)4-11-16(18)13-5-7-14(17)8-6-13/h2-11H,1H3
InChI Key:
AOINTYAZKYYNGN-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)/C=C/C(=O)c1ccc(cc1)F
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.09g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.276g/mol
Monoisotopic Mass:
256.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| (2E)-3-[4-(Dimethyl-amino)-phen-yl]-1-(4-fluoro-phen-yl)prop-2-en-1-one. | Acta crystallographica. Section E, Structure reports online 20110201 |
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