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82129-63-3 | 1-METHYL-3-(1-OXOPROPYL)-5-(3-(TRIFLUOROMETHYL)PHENYL)-4-1H-PYRIDINON E
CAS No: 82129-63-3 Catalog No: AG0051I3 MDL No:
Product Description
Catalog Number:
AG0051I3
Chemical Name:
1-METHYL-3-(1-OXOPROPYL)-5-(3-(TRIFLUOROMETHYL)PHENYL)-4-1H-PYRIDINON E
CAS Number:
82129-63-3
Molecular Formula:
C16H14F3NO2
Molecular Weight:
309.2831
IUPAC Name:
1-methyl-3-propanoyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one
InChI:
InChI=1S/C16H14F3NO2/c1-3-14(21)13-9-20(2)8-12(15(13)22)10-5-4-6-11(7-10)16(17,18)19/h4-9H,3H2,1-2H3
InChI Key:
DSUOBRWDEMOYOE-UHFFFAOYSA-N
SMILES:
CCC(=O)c1cn(C)cc(c1=O)c1cccc(c1)C(F)(F)F
Properties
Complexity:
534
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.098g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.288g/mol
Monoisotopic Mass:
309.098g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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