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82129-65-5 | 4(1H)-Pyridinone, 3-acetyl-1-methyl-5-[3-(trifluoromethyl)phenyl]-
CAS No: 82129-65-5 Catalog No: AG0051I2 MDL No:
Product Description
Catalog Number:
AG0051I2
Chemical Name:
4(1H)-Pyridinone, 3-acetyl-1-methyl-5-[3-(trifluoromethyl)phenyl]-
CAS Number:
82129-65-5
Molecular Formula:
C15H12F3NO2
Molecular Weight:
295.2565
IUPAC Name:
3-acetyl-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one
InChI:
InChI=1S/C15H12F3NO2/c1-9(20)12-7-19(2)8-13(14(12)21)10-4-3-5-11(6-10)15(16,17)18/h3-8H,1-2H3
InChI Key:
RXRRHPPKDYGRGF-UHFFFAOYSA-N
SMILES:
Cn1cc(C(=O)C)c(=O)c(c1)c1cccc(c1)C(F)(F)F
Properties
Complexity:
520
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.082g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.261g/mol
Monoisotopic Mass:
295.082g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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