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Home > Fluorides > 828939-14-6
828939-14-6 | 3(2H)-Quinolinone, 1,4-dihydro-2,2,6-trimethyl-1-(trifluoroacetyl)-
CAS No: 828939-14-6 Catalog No: AG004VCA MDL No:
Product Description
Catalog Number:
AG004VCA
Chemical Name:
3(2H)-Quinolinone, 1,4-dihydro-2,2,6-trimethyl-1-(trifluoroacetyl)-
CAS Number:
828939-14-6
Molecular Formula:
C14H14F3NO2
Molecular Weight:
285.2617
IUPAC Name:
2,2,6-trimethyl-1-(2,2,2-trifluoroacetyl)-4H-quinolin-3-one
InChI:
InChI=1S/C14H14F3NO2/c1-8-4-5-10-9(6-8)7-11(19)13(2,3)18(10)12(20)14(15,16)17/h4-6H,7H2,1-3H3
InChI Key:
GAQDEBHGMDZBMR-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)CC(=O)C(N2C(=O)C(F)(F)F)(C)C
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.098g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.266g/mol
Monoisotopic Mass:
285.098g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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