
C31H32ClF2N7O5
3040175-17-2 Copyright (C) 2025 ACS
 47 54  0  0  1  0  0  0  0  0999 V2000
    8.5143    9.4001    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.4130    5.7585    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.6188    4.7410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6167    5.9140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.9382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5941    9.3430    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.7050    6.5262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9530    5.7585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9821    8.4519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6430    7.0921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1830    4.4247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4592    5.4383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5358    8.2109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0199    7.2688    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8730    5.7585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8807    8.4324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6430    4.4247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2134    3.2803    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6203    3.9066    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0634    6.7546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5628    5.8286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3091    8.2465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0753    5.5765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5827    6.4706    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8288    6.7579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4406    4.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1040    5.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9221    5.6458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4847    2.9985    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    9.1013    3.8466    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5203    4.1834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9936    3.4594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0217    1.5563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3295    2.9685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7411    2.5992    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.2440    0.2271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5942    1.0604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7181    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1314    5.6362    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.6461    5.3584    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9275    7.1626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3991    4.2815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3784    6.7131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8500    3.8320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3163    7.8282    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.4613    3.1664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8598    3.8620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  3 27  1  0  0  0  0
 39  4  1  6  0  0  0
  5 31  2  0  0  0  0
 45  6  1  1  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  2  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
 12 19  2  0  0  0  0
 13 20  2  0  0  0  0
 14 21  1  0  0  0  0
 15 17  2  0  0  0  0
 16 22  1  0  0  0  0
 18 19  1  0  0  0  0
 20 23  1  0  0  0  0
 20 24  1  0  0  0  0
 21 23  2  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
 24 27  2  0  0  0  0
 25 28  1  0  0  0  0
 26 29  1  0  0  0  0
 26 30  2  0  0  0  0
 27 30  1  0  0  0  0
 28 31  1  0  0  0  0
 29 32  1  0  0  0  0
 29 33  1  0  0  0  0
 31 34  1  0  0  0  0
 32 35  1  0  0  0  0
 33 36  1  0  0  0  0
 34 35  1  0  0  0  0
 35 37  1  0  0  0  0
 35 47  1  6  0  0  0
 36 38  1  0  0  0  0
 37 38  1  0  0  0  0
 39 40  1  0  0  0  0
 39 41  1  0  0  0  0
 39 42  1  0  0  0  0
 40 43  1  0  0  0  0
 40 44  1  0  0  0  0
 41 45  1  0  0  0  0
 42 46  1  0  0  0  0
 43 45  1  0  0  0  0
 44 46  1  0  0  0  0
M  END
> <cas.rn>
3040175-17-2

> <cas.index.name>
Not Yet Assigned

> <molecular.formula>
C31H32ClF2N7O5

> <molecular.weight>
656.08

> <boiling.point.predicted>
916.188±75.00 °C    Press: 760.00 Torr

> <density.predicted>
1.556±0.10 g/cm3    Temp: 25 °C; Press: 760 Torr

$$$$
