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Home > Fluorides > 125647-79-2
125647-79-2 | 4-Quinolinol, 6-(trifluoromethoxy)-2-(trifluoromethyl)-
CAS No: 125647-79-2 Catalog No: AG000O9E MDL No:MFCD00276584
Product Description
Catalog Number:
AG000O9E
Chemical Name:
4-Quinolinol, 6-(trifluoromethoxy)-2-(trifluoromethyl)-
CAS Number:
125647-79-2
Molecular Formula:
C11H5F6NO2
Molecular Weight:
297.1533
MDL Number:
MFCD00276584
IUPAC Name:
6-(trifluoromethoxy)-2-(trifluoromethyl)-1H-quinolin-4-one
InChI:
InChI=1S/C11H5F6NO2/c12-10(13,14)9-4-8(19)6-3-5(20-11(15,16)17)1-2-7(6)18-9/h1-4H,(H,18,19)
InChI Key:
FOSLEIYRFCRULX-UHFFFAOYSA-N
SMILES:
Oc1cc(nc2c1cc(cc2)OC(F)(F)F)C(F)(F)F
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.022g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
297.156g/mol
Monoisotopic Mass:
297.022g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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