Lodoxamide
C11H6ClN3O6
53882-12-5 Copyright (C) 2024 ACS
 21 21  0  0  0  0  0  0  0  0999 V2000
    4.0009    6.1600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    5.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3336    6.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    3.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3336    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6684    7.7000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.3358    6.1600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6694    5.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0031    6.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6694    3.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0031    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    5.3900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6684    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6684    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3347    5.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6684    6.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3347    3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0020    5.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6684    3.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0020    3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 16  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3  6  2  0  0  0  0
  7 17  1  0  0  0  0
  8  9  1  0  0  0  0
  8 19  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
 14 15  3  0  0  0  0
 14 20  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
> <cas.rn>
53882-12-5

> <cas.index.name>
Acetic acid, 2,2′-[(2-chloro-5-cyano-1,3-phenylene)diimino]bis[2-oxo-

> <molecular.formula>
C11H6ClN3O6

> <molecular.weight>
311.64

> <melting.point.experimental>
212 °C (decomp)

> <density.predicted>
1.785±0.10 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
2.072±0.50    Most Acidic Temp: 25 °C

$$$$
