Fluridil
C13H11F6N3O5
260980-89-0 Copyright (C) 2025 ACS
 27 27  0  0  0  0  0  0  0  0999 V2000
    1.3337    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5637    3.2864    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3901    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.1037    5.9538    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    1.5400    0.0000 N   0  0  0  0  0  5  0  0  0  0  0  0
    0.0000    2.3101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    4.6201    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0023    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3360    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0023    2.3101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1060    3.2864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5660    5.9538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6697    5.3901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6460    3.2864    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4161    1.9526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9561    1.9526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6460    0.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4961    1.9526    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.9561    0.4126    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.9561    3.4926    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0012    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0012    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 22  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  2  0  0  0  0
  5 23  1  0  0  0  0
  8  9  1  0  0  0  0
  8 26  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
> <cas.rn>
260980-89-0

> <cas.index.name>
Propanamide, 2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-3-[(2,2,2-trifluoroacetyl)amino]-

> <molecular.formula>
C13H11F6N3O5

> <molecular.weight>
403.23

> <melting.point.experimental>
144-145 °C

> <boiling.point.experimental>
284-289 °C

> <density.predicted>
1.589±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
10.657±0.46    Most Acidic Temp: 25 °C

$$$$
