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Home > Fluorides > 116476-92-7
116476-92-7 | 2(1H)-Quinolinone, 3-ethyl-4-hydroxy-7-(trifluoromethyl)-
CAS No: 116476-92-7 Catalog No: AG000CLL MDL No:
Product Description
Catalog Number:
AG000CLL
Chemical Name:
2(1H)-Quinolinone, 3-ethyl-4-hydroxy-7-(trifluoromethyl)-
CAS Number:
116476-92-7
Molecular Formula:
C12H10F3NO2
Molecular Weight:
257.2085
IUPAC Name:
3-ethyl-4-hydroxy-7-(trifluoromethyl)-1H-quinolin-2-one
InChI:
InChI=1S/C12H10F3NO2/c1-2-7-10(17)8-4-3-6(12(13,14)15)5-9(8)16-11(7)18/h3-5H,2H2,1H3,(H2,16,17,18)
InChI Key:
JCCCECFQADELTM-UHFFFAOYSA-N
SMILES:
CCc1c(=O)[nH]c2c(c1O)ccc(c2)C(F)(F)F
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.066g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
257.212g/mol
Monoisotopic Mass:
257.066g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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