CellTracker Blue CMAC
C10H8ClNO2
147963-22-2 Copyright (C) 2026 ACS
 14 15  0  0  0  0  0  0  0  0999 V2000
    1.5400    5.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3349    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.5400    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4700    4.0011    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8500    1.3338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1600    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    5.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    1.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9300    4.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5400    2.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1600    5.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  9  1  0  0  0  0
  3 11  2  0  0  0  0
  4 12  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  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  2  0  0  0  0
M  END
> <cas.rn>
147963-22-2

> <ca.index.name>
2H-1-Benzopyran-2-one, 7-amino-4-(chloromethyl)-

> <molecular.formula>
C10H8ClNO2

> <smiles.canonical>
O=C1OC=2C=C(N)C=CC2C(=C1)CCl

> <molecular.weight>
209.63

> <melting.point.experimental>
277.9-279.2 °C    Solvent: Ethanol

> <boiling.point.predicted>
410.269±45.00 °C    Press: 760.00 Torr

> <density.predicted>
1.399±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
1.613±0.20    Most Basic Temp: 25 °C

$$$$
