
C19H13ClD3F4N3O4
2607139-85-3 Copyright (C) 2024 ACS
 34 36  0  0  1  0  0  0  0  0999 V2000
    6.1601    5.3028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6201    5.3028    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9301    6.6364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3585    4.4194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1888    1.6752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7973    2.2420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2873    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5355    5.4566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8556    6.9629    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.0418    5.1365    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.2153    3.9502    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.5708    9.0263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.9701    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.5400   10.6376    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4617    3.8080    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9301    3.9690    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.7819    2.3017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3038    2.5621    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4482    1.5317    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.4921    4.9526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9986    4.6323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0162    6.4171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0290    5.7768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0468    7.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5531    7.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8501    6.6364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    6.6364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6201    7.9701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5400    7.9701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8501    9.3038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    9.3038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4928    2.8852    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
    2.0971    3.5361    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
    1.9628    5.0702    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
 16  1  1  1  0  0  0
  2  4  1  0  0  0  0
  2 26  1  0  0  0  0
  4 32  1  0  0  0  0
  4 33  1  0  0  0  0
  4 34  1  0  0  0  0
  5 17  2  0  0  0  0
 18  6  1  1  0  0  0
 19  7  1  1  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 29  1  0  0  0  0
 14 31  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 20  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
 24 25  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  2  0  0  0  0
 29 31  2  0  0  0  0
 30 31  1  0  0  0  0
M  ISO  3  32   2  33   2  34   2
M  END
> <cas.rn>
2607139-85-3

> <cas.index.name>
Not Yet Assigned

> <molecular.formula>
C19H13ClD3F4N3O4

> <molecular.weight>
464.81

> <boiling.point.predicted>
691.243±55.00 °C    Press: 760.00 Torr

> <density.predicted>
1.588±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
11.991±0.60    Most Acidic Temp: 25 °C

$$$$
