4-Fluoro-5-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-6-benzothiazole...
C16H12F2IN3O3S
1801756-06-8 Copyright (C) 2024 ACS
 26 28  0  0  0  0  0  0  0  0999 V2000
    6.1600    6.3708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2400    6.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7800    6.3708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4700    7.7046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5500    7.7046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0900    7.7046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8600    9.0383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4000    9.0383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    3.7035    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    9.0383    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1600    3.7035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2400    3.7035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300    2.3699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4700    2.3699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4541    0.9052    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9459    0.9052    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    6.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500    7.7046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500    5.0372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    7.7046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    5.0372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5400    6.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <cas.rn>
1801756-06-8

> <cas.index.name>
6-Benzothiazolecarboxamide, 4-fluoro-5-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-

> <molecular.formula>
C16H12F2IN3O3S

> <molecular.weight>
491.25

> <density.predicted>
1.864±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
14.168±0.10    Most Acidic Temp: 25 °C

$$$$
