3-(4-Bromo-1,3-dihydro-1-oxo-2H-isoindol-2-yl)-2,6-piperidinedione
C13H11BrN2O3
2093387-36-9 Copyright (C) 2025 ACS
 19 21  0  0  0  0  0  0  0  0999 V2000
    4.6078    5.7904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5770    0.4126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3336    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   11.1970    3.0800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0370    3.0800    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1320    4.3259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1320    1.8340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3336    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3336    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5770    3.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3470    1.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3470    4.4136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8870    1.7462    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8870    4.4136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6570    3.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  2 15  2  0  0  0  0
  3 11  1  0  0  0  0
  4 19  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 14  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  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
M  END
> <cas.rn>
2093387-36-9

> <cas.index.name>
2,6-Piperidinedione, 3-(4-bromo-1,3-dihydro-1-oxo-2H-isoindol-2-yl)-

> <molecular.formula>
C13H11BrN2O3

> <molecular.weight>
323.14

> <boiling.point.predicted>
587.975±50.00 °C    Press: 760.00 Torr

> <density.predicted>
1.688±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
10.642±0.40    Most Acidic Temp: 25 °C

$$$$
