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88488-74-8 | 4(1H)-Pyridinone, 1-methyl-3-phenoxy-5-[3-(trifluoromethyl)benzoyl]-
CAS No: 88488-74-8 Catalog No: AG004A06 MDL No:
Product Description
Catalog Number:
AG004A06
Chemical Name:
4(1H)-Pyridinone, 1-methyl-3-phenoxy-5-[3-(trifluoromethyl)benzoyl]-
CAS Number:
88488-74-8
Molecular Formula:
C20H14F3NO3
Molecular Weight:
373.3253
IUPAC Name:
1-methyl-3-phenoxy-5-[3-(trifluoromethyl)benzoyl]pyridin-4-one
InChI:
InChI=1S/C20H14F3NO3/c1-24-11-16(18(25)13-6-5-7-14(10-13)20(21,22)23)19(26)17(12-24)27-15-8-3-2-4-9-15/h2-12H,1H3
InChI Key:
VKTNJTKAVPSKAN-UHFFFAOYSA-N
SMILES:
Cn1cc(Oc2ccccc2)c(=O)c(c1)C(=O)c1cccc(c1)C(F)(F)F
Properties
Complexity:
647
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.093g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
373.331g/mol
Monoisotopic Mass:
373.093g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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