
 3-(trifluoromethyl)benzo[g]quinoxalin-2-ol

 26 28  0  0  0  0  0  0  0  0999 V2000
   -3.6550    0.6984   -0.0676 C   0  0  0  0  0
   -3.6534   -0.6851    0.0840 C   0  0  0  0  0
   -2.4447   -1.3749    0.1848 C   0  0  0  0  0
   -1.2209   -0.6890    0.1354 C   0  0  0  0  0
    0.0025   -1.3729    0.2356 C   0  0  0  0  0
    1.2162   -0.6871    0.1860 C   0  0  0  0  0
    1.2009    0.7050    0.0330 C   0  0  0  0  0
    0.0000    1.4070   -0.0689 C   0  0  0  0  0
   -1.2218    0.7181   -0.0189 C   0  0  0  0  0
   -2.4470    1.3965   -0.1188 C   0  0  0  0  0
    2.4170    1.3922   -0.0169 N   0  0  0  0  0
    3.6196    0.7362    0.0800 C   0  0  0  0  0
    4.6926    1.3161    0.0388 O   0  0  0  0  0
    3.5451   -0.7656    0.2430 C   0  0  0  0  0
    2.4125   -1.4186    0.2909 N   0  0  0  0  0
    4.8850   -1.4364    0.3446 C   0  0  0  0  0
    4.7879   -2.7901    0.4912 F   0  0  0  0  0
    5.6561   -1.2425   -0.7610 F   0  0  0  0  0
    5.6108   -1.0039    1.4126 F   0  0  0  0  0
   -4.5968    1.2357   -0.1461 H   0  0  0  0  0
   -4.5939   -1.2290    0.1239 H   0  0  0  0  0
   -2.4656   -2.4564    0.3028 H   0  0  0  0  0
    0.0197   -2.4540    0.3545 H   0  0  0  0  0
    0.0076    2.4873   -0.1871 H   0  0  0  0  0
   -2.4727    2.4776   -0.2378 H   0  0  0  0  0
    2.4451    2.3974   -0.1264 H   0  0  0  0  0
  1  2  2  0  0  0
  1 10  1  0  0  0
  1 20  1  0  0  0
  2  3  1  0  0  0
  2 21  1  0  0  0
  3  4  2  0  0  0
  3 22  1  0  0  0
  4  5  1  0  0  0
  4  9  1  0  0  0
  5  6  2  0  0  0
  5 23  1  0  0  0
  6 15  1  0  0  0
  6  7  1  0  0  0
  7 11  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  8 24  1  0  0  0
  9 10  2  0  0  0
 10 25  1  0  0  0
 11 12  1  0  0  0
 11 26  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 15  2  0  0  0
 14 16  1  0  0  0
 16 19  1  0  0  0
 16 18  1  0  0  0
 16 17  1  0  0  0
M  END

>  <Chemical Name>
3-(trifluoromethyl)benzo[g]quinoxalin-2-ol

>  <PubChem CID>
1502798

>  <Formula>
C13H7F3N2O

>  <Molecular Weight>
264.207000

>  <IUPAC Name>
3-(trifluoromethyl)-1H-benzo[g]quinoxalin-2-one

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1=CC=C2C=C3C(=CC2=C1)NC(=O)C(=N3)C(F)(F)F

>  <Isomeric SMILES>
C1=CC=C2C=C3C(=CC2=C1)NC(=O)C(=N3)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C13H7F3N2O/c14-13(15,16)11-12(19)18-10-6-8-4-2-1-3-7(8)5-9(10)17-11/h1-6H,(H,18,19)

>  <InChI Key>
FLOKVRACNNBAGH-UHFFFAOYSA-N

