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Home > Fluorides > 144017-74-3
144017-74-3 | 2-Propen-1-one, 1-phenyl-3-[4-(trifluoromethyl)phenyl]-, (2E)-
CAS No: 144017-74-3 Catalog No: AG001ISB MDL No:
Product Description
Catalog Number:
AG001ISB
Chemical Name:
2-Propen-1-one, 1-phenyl-3-[4-(trifluoromethyl)phenyl]-, (2E)-
CAS Number:
144017-74-3
Molecular Formula:
C16H11F3O
Molecular Weight:
276.2531
IUPAC Name:
1-phenyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one
InChI:
InChI=1S/C16H11F3O/c17-16(18,19)14-9-6-12(7-10-14)8-11-15(20)13-4-2-1-3-5-13/h1-11H
InChI Key:
QZMAQARJRMCAPU-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)/C=C/c1ccc(cc1)C(F)(F)F
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.076g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.258g/mol
Monoisotopic Mass:
276.076g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4
Literature
| Title | Journal |
|---|---|
| (E)-1-Phenyl-3-[4-(trifluoro-meth-yl)phen-yl]prop-2-en-1-one. | Acta crystallographica. Section E, Structure reports online 20120901 |
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