1-[4-[6-Chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-quinazolinyl]-1-pipera...
C21H17ClF2N4O2
1698024-73-5 Copyright (C) 2024 ACS
 30 33  0  0  0  0  0  0  0  0999 V2000
    2.6674    2.3100    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.3347    6.9300    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   13.3369    6.9300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6696    5.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0032    4.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6674    5.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6674    6.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3338    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3338    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <cas.rn>
1698024-73-5

> <cas.index.name>
2-Propen-1-one, 1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-quinazolinyl]-1-piperazinyl]-

> <molecular.formula>
C21H17ClF2N4O2

> <molecular.weight>
430.84

> <boiling.point.predicted>
614.680±55.00 °C    Press: 760.00 Torr

> <density.predicted>
1.435±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
6.555±0.35    Most Acidic Temp: 25 °C

$$$$
