6-([1,1′-Biphenyl]-2-yloxy)-3-chloro-1,2,4-triazolo[4,3-b]pyridazine
C17H11ClN4O
1429024-58-7 Copyright (C) 2025 ACS
 23 26  0  0  0  0  0  0  0  0999 V2000
    5.3901    4.0012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9505    7.9857    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.6201    2.6675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0801    2.6675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3901    1.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3101    1.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6201    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0801    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3101    4.0012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0801    5.3348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    4.0012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3101    6.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7700    6.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9302    4.0012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7002    5.3348    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7002    2.6675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2402    5.3348    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2402    2.6675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0102    4.0012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2706    6.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5165    4.3213    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6775    5.8529    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 15  1  0  0  0  0
  2 21  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  2  0  0  0  0
  7  8  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  2  0  0  0  0
 13 14  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
> <cas.rn>
1429024-58-7

> <ca.index.name>
1,2,4-Triazolo[4,3-b]pyridazine, 6-([1,1′-biphenyl]-2-yloxy)-3-chloro-

> <molecular.formula>
C17H11ClN4O

> <smiles.canonical>
ClC1=NN=C2C=CC(=NN12)OC=3C=CC=CC3C=4C=CC=CC4

> <molecular.weight>
322.75

> <density.predicted>
1.386±0.14 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
-1.287±0.30    Most Basic Temp: 25 °C

$$$$
