
 SR-02000000357

 41 43  0  0  0  0  0  0  0  0999 V2000
    2.3513   -0.4409    1.4567 C   0  0  0  0  0
    1.9820    0.0063    0.0400 C   0  0  0  0  0
    0.4807   -0.1807   -0.2043 C   0  0  0  0  0
    2.4693    1.4237   -0.2025 C   0  0  0  0  0
    3.7294    1.6359   -0.7752 C   0  0  0  0  0
    4.2282    2.9330   -0.9602 C   0  0  0  0  0
    3.4869    4.0636   -0.5825 C   0  0  0  0  0
    2.2264    3.8391   -0.0125 C   0  0  0  0  0
    1.7271    2.5442    0.1783 C   0  0  0  0  0
    4.0485    5.3830   -0.6994 N   0  0  0  0  0
    3.3134    6.5565   -0.4769 C   0  0  0  0  0
    2.0866    6.6587   -0.4999 O   0  0  0  0  0
    4.1314    7.7714   -0.1528 C   0  0  0  0  0
    5.4169    7.7910   -0.5007 C   0  0  0  0  0
    5.9866    6.5494   -1.0285 C   0  0  0  0  0
    5.3782    5.4102   -1.0802 N   0  0  0  0  0
    6.4731    9.1178   -0.2576 Cl  0  0  0  0  0
    3.5322    8.8646    0.4726 O   0  0  0  0  0
    2.7398    8.6187    1.5741 C   0  0  0  0  0
    1.6076    9.4207    1.7222 C   0  0  0  0  0
    0.7444    9.2166    2.8021 C   0  0  0  0  0
    1.0233    8.2169    3.7331 C   0  0  0  0  0
    2.1679    7.4316    3.6049 C   0  0  0  0  0
    3.0371    7.6414    2.5313 C   0  0  0  0  0
   -0.0490    7.9517    5.0519 Cl  0  0  0  0  0
    3.4340   -0.3864    1.6173 H   0  0  0  0  0
    2.0399   -1.4762    1.6315 H   0  0  0  0  0
    1.8721    0.1885    2.2156 H   0  0  0  0  0
    2.4964   -0.6555   -0.6697 H   0  0  0  0  0
   -0.1272    0.3488    0.5372 H   0  0  0  0  0
    0.2136   -1.2414   -0.1438 H   0  0  0  0  0
    0.1951    0.1815   -1.1978 H   0  0  0  0  0
    4.3474    0.7910   -1.0714 H   0  0  0  0  0
    5.2174    3.0398   -1.3983 H   0  0  0  0  0
    1.5999    4.6539    0.3381 H   0  0  0  0  0
    0.7532    2.4365    0.6501 H   0  0  0  0  0
    7.0392    6.5963   -1.3535 H   0  0  0  0  0
    1.3832   10.1892    0.9876 H   0  0  0  0  0
   -0.1453    9.8318    2.9046 H   0  0  0  0  0
    2.3867    6.6545    4.3329 H   0  0  0  0  0
    3.9296    7.0271    2.4564 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  3 30  1  0  0  0
  3 31  1  0  0  0
  3 32  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 33  1  0  0  0
  6  7  2  0  0  0
  6 34  1  0  0  0
  7  8  1  0  0  0
  7 10  1  0  0  0
  8  9  2  0  0  0
  8 35  1  0  0  0
  9 36  1  0  0  0
 10 16  1  0  0  0
 10 11  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 17  1  0  0  0
 15 16  2  0  0  0
 15 37  1  0  0  0
 18 19  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 38  1  0  0  0
 21 22  2  0  0  0
 21 39  1  0  0  0
 22 23  1  0  0  0
 22 25  1  0  0  0
 23 24  2  0  0  0
 23 40  1  0  0  0
 24 41  1  0  0  0
M  END

>  <Chemical Name>
SR-02000000357

>  <PubChem CID>
46172932

>  <Formula>
C19H16Cl2N2O2

>  <Molecular Weight>
375.249000

>  <IUPAC Name>
5-chloro-4-(4-chlorophenoxy)-2-(4-propan-2-ylphenyl)pyridazin-3-one

>  <XlogP>
5.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(C)C1=CC=C(C=C1)N2C(=O)C(=C(C=N2)Cl)OC3=CC=C(C=C3)Cl

>  <Isomeric SMILES>
CC(C)C1=CC=C(C=C1)N2C(=O)C(=C(C=N2)Cl)OC3=CC=C(C=C3)Cl

>  <InChI Std. ID>
InChI=1S/C19H16Cl2N2O2/c1-12(2)13-3-7-15(8-4-13)23-19(24)18(17(21)11-22-23)25-16-9-5-14(20)6-10-16/h3-12H,1-2H3

>  <InChI Key>
CJWGCKWFQNORJC-UHFFFAOYSA-N

