N-(2,6-Dichlorophenyl)-N′-(5-nitro-3-thienyl)urea
C11H7Cl2N3O3S
672286-03-2 Copyright (C) 2024 ACS
 20 21  0  0  0  0  0  0  0  0999 V2000
    4.0011    1.5400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3347    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    1.5400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3347    3.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3338    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0011    4.6200    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.9711    2.6671    0.0000 N   0  0  0  0  0  5  0  0  0  0  0  0
   12.8763    3.9130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5974    1.2602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6674    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3338    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6674    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
    1.3338    4.6200    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
    8.0022    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4090    1.6837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1631    3.8415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4396    2.8281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6696    4.1617    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 10  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  3 16  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 19  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  2  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
> <cas.rn>
672286-03-2

> <cas.index.name>
Urea, N-(2,6-dichlorophenyl)-N′-(5-nitro-3-thienyl)-

> <molecular.formula>
C11H7Cl2N3O3S

> <molecular.weight>
332.16

> <boiling.point.predicted>
372.147±42.00 °C    Press: 760.00 Torr

> <density.predicted>
1.703±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
12.304±0.70    Most Acidic Temp: 25 °C

$$$$
