
 SR-02000000371

 45 47  0  0  0  0  0  0  0  0999 V2000
    2.5535   -0.8581   -1.0498 C   0  0  0  0  0
    2.8362   -0.1854    0.2956 C   0  0  0  0  0
    3.8089   -1.0296    1.1241 C   0  0  0  0  0
    3.2971    1.2486    0.0767 C   0  0  0  0  0
    2.3340    2.2834    0.0814 C   0  0  0  0  0
    2.6722    3.6270   -0.1526 C   0  0  0  0  0
    4.0316    3.9059   -0.3817 C   0  0  0  0  0
    4.9994    2.8977   -0.3948 C   0  0  0  0  0
    4.6317    1.5739   -0.1753 C   0  0  0  0  0
    1.7027    4.7003   -0.1580 N   0  0  0  0  0
    0.3180    4.5229    0.0220 C   0  0  0  0  0
   -0.2722    3.4472    0.1223 O   0  0  0  0  0
   -0.5064    5.7763    0.0896 C   0  0  0  0  0
    0.0494    6.9528   -0.1967 C   0  0  0  0  0
    1.4862    6.9685   -0.4459 C   0  0  0  0  0
    2.2663    5.9422   -0.4111 N   0  0  0  0  0
   -0.7846    8.4496   -0.2117 Cl  0  0  0  0  0
   -1.8648    5.6764    0.3737 O   0  0  0  0  0
   -2.2297    5.2186    1.6206 C   0  0  0  0  0
   -3.4376    4.5275    1.6941 C   0  0  0  0  0
   -3.8984    4.0577    2.9259 C   0  0  0  0  0
   -3.1709    4.2959    4.0942 C   0  0  0  0  0
   -1.9630    4.9907    4.0183 C   0  0  0  0  0
   -1.4956    5.4589    2.7850 C   0  0  0  0  0
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    4.7454   -1.2234    0.5909 H   0  0  0  0  0
    3.3629   -2.0020    1.3604 H   0  0  0  0  0
    4.0528   -0.5346    2.0701 H   0  0  0  0  0
    1.3084    1.9883    0.2723 H   0  0  0  0  0
    4.3689    4.9240   -0.5630 H   0  0  0  0  0
    6.0396    3.1491   -0.5841 H   0  0  0  0  0
    5.4003    0.8067   -0.2108 H   0  0  0  0  0
    1.9325    7.9533   -0.6612 H   0  0  0  0  0
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   -3.8679    3.9207    7.2687 H   0  0  0  0  0
   -3.3424    5.4161    6.4833 H   0  0  0  0  0
   -2.2161    4.0140    6.6514 H   0  0  0  0  0
  1  2  1  0  0  0
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  1 28  1  0  0  0
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  3 31  1  0  0  0
  3 32  1  0  0  0
  3 33  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
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  6  7  2  0  0  0
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M  END

>  <Chemical Name>
SR-02000000371

>  <PubChem CID>
46172924

>  <Formula>
C20H19ClN2O3

>  <Molecular Weight>
370.833000

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

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

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

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

>  <InChI Std. ID>
InChI=1S/C20H19ClN2O3/c1-13(2)14-5-4-6-15(11-14)23-20(24)19(18(21)12-22-23)26-17-9-7-16(25-3)8-10-17/h4-13H,1-3H3

>  <InChI Key>
BFZMZQCRZNOAGD-UHFFFAOYSA-N

