Monochlorobimane
C10H11ClN2O2
76421-73-3 Copyright (C) 2025 ACS
 15 16  0  0  0  0  0  0  0  0999 V2000
    1.5400    5.3026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3026    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.3364    6.1096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6672    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4634    0.8070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1773    2.2418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8261    3.8678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8416    3.8080    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1618    2.3016    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3101    3.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1753    4.5781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8281    1.5316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6934    2.1406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6836    2.5622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3198    3.5475    0.0000 C   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
  3 11  1  0  0  0  0
  4 12  2  0  0  0  0
  5 13  2  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 15  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
> <cas.rn>
76421-73-3

> <cas.index.name>
1H,7H-Pyrazolo[1,2-a]pyrazole-1,7-dione, 3-(chloromethyl)-2,5,6-trimethyl-

> <molecular.formula>
C10H11ClN2O2

> <molecular.weight>
226.66

> <boiling.point.predicted>
314.883±44.00 °C    Press: 760.00 Torr

> <density.predicted>
1.404±0.10 g/cm3    Temp: 25 °C; Press: 760 Torr

$$$$
