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Home > Fluorides > 142227-84-7
142227-84-7 | 2-Propen-1-one, 3-(4-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-
CAS No: 142227-84-7 Catalog No: AG001I02 MDL No:
Product Description
Catalog Number:
AG001I02
Chemical Name:
2-Propen-1-one, 3-(4-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-
CAS Number:
142227-84-7
Molecular Formula:
C15H10F3NO
Molecular Weight:
277.2412
IUPAC Name:
3-pyridin-4-yl-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
InChI:
InChI=1S/C15H10F3NO/c16-15(17,18)13-3-1-2-12(10-13)14(20)5-4-11-6-8-19-9-7-11/h1-10H
InChI Key:
ATFFPIWVJYDKGY-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1)C(F)(F)F)C=Cc1ccncc1
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.071g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.246g/mol
Monoisotopic Mass:
277.071g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
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