2-Chloro-1-(1H-indol-3-yl)ethanone
C10H8ClNO
28755-03-5 Copyright (C) 2025 ACS
 13 14  0  0  0  0  0  0  0  0999 V2000
    5.7308    3.1885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1955    2.7126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4106    4.6949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3399    3.7431    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0801    2.4782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5864    2.1580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3101    1.1446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3101    3.8119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7473    0.6265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3405    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    1.1446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    3.8119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  6  1  0  0  0  0
  2  4  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
 11 13  1  0  0  0  0
 12 13  2  0  0  0  0
M  END
> <cas.rn>
28755-03-5

> <cas.index.name>
Ethanone, 2-chloro-1-(1H-indol-3-yl)-

> <molecular.formula>
C10H8ClNO

> <molecular.weight>
193.63

> <melting.point.experimental>
232-233 °C    Solvent: Ethanol; Water

> <boiling.point.predicted>
379.056±17.00 °C    Press: 760.00 Torr

> <density.predicted>
1.337±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
15.078±0.30    Most Acidic Temp: 25 °C

$$$$
