5-[4-Phenyl-5-(trifluoromethyl)-2-thienyl]-3-[3-(trifluoromethyl)phenyl]-1,2,...
C20H10F6N2OS
256414-75-2 Copyright (C) 2024 ACS
 30 33  0  0  0  0  0  0  0  0999 V2000
    3.0175    5.6421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9871    4.4977    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.8731    6.6725    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0480    6.7866    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.7422    3.9551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9722    2.6214    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   17.0759    3.1851    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.5122    5.2889    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    3.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1621    4.6116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4080    2.4536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6684    4.9318    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.4384    3.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6673    0.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    3.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9700    3.4370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0006    4.5816    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7400    2.1034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4074    3.9551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2465    2.4236    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7411    4.7251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0749    3.9551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7411    6.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4086    4.7251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0749    7.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4086    6.2652    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 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 28  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  9 14  1  0  0  0  0
 10 12  1  0  0  0  0
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 15 17  1  0  0  0  0
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 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
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 26 28  1  0  0  0  0
 27 29  2  0  0  0  0
 28 30  2  0  0  0  0
 29 30  1  0  0  0  0
M  END
> <cas.rn>
256414-75-2

> <cas.index.name>
1,2,4-Oxadiazole, 5-[4-phenyl-5-(trifluoromethyl)-2-thienyl]-3-[3-(trifluoromethyl)phenyl]-

> <molecular.formula>
C20H10F6N2OS

> <molecular.weight>
440.36

> <boiling.point.predicted>
490.324±55.00 °C    Press: 760.00 Torr

> <density.predicted>
1.416±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
-3.108±0.10    Most Basic Temp: 25 °C

$$$$
