
 SR-02000000351

 38 40  0  0  0  0  0  0  0  0999 V2000
    0.7420   -0.7052   -1.4971 C   0  0  0  0  0
    2.2271   -0.5611   -1.3529 C   0  0  0  0  0
    3.0038   -1.5769   -0.7972 C   0  0  0  0  0
    4.3907   -1.4199   -0.6678 C   0  0  0  0  0
    5.0471   -0.2453   -1.0814 C   0  0  0  0  0
    4.2453    0.7690   -1.6242 C   0  0  0  0  0
    2.8587    0.6131   -1.7634 C   0  0  0  0  0
    6.4693   -0.1020   -0.8892 N   0  0  0  0  0
    7.2070    1.0234   -1.2936 C   0  0  0  0  0
    6.8286    1.9001   -2.0690 O   0  0  0  0  0
    8.5770    1.1522   -0.6869 C   0  0  0  0  0
    9.1519    0.0711   -0.1584 C   0  0  0  0  0
    8.3310   -1.1323   -0.0405 C   0  0  0  0  0
    7.0754   -1.2147   -0.3270 N   0  0  0  0  0
   10.7350    0.0287    0.4943 Cl  0  0  0  0  0
    9.2557    2.3696   -0.7361 O   0  0  0  0  0
    8.5760    3.5139   -0.3780 C   0  0  0  0  0
    8.9334    4.6822   -1.0501 C   0  0  0  0  0
    8.2721    5.8815   -0.7725 C   0  0  0  0  0
    7.2513    5.9261    0.1892 C   0  0  0  0  0
    6.9281    4.7525    0.8886 C   0  0  0  0  0
    7.5970    3.5556    0.6190 C   0  0  0  0  0
    6.4937    7.2010    0.4698 C   0  0  0  0  0
    5.1680    7.0948    0.1755 F   0  0  0  0  0
    6.5555    7.5650    1.7812 F   0  0  0  0  0
    6.9475    8.2744   -0.2357 F   0  0  0  0  0
    0.4040   -1.7028   -1.1983 H   0  0  0  0  0
    0.4473   -0.5520   -2.5405 H   0  0  0  0  0
    0.2297    0.0291   -0.8672 H   0  0  0  0  0
    2.5436   -2.5010   -0.4556 H   0  0  0  0  0
    4.9491   -2.2400   -0.2228 H   0  0  0  0  0
    4.6550    1.7183   -1.9518 H   0  0  0  0  0
    2.2781    1.4265   -2.1942 H   0  0  0  0  0
    8.8308   -2.0232    0.3746 H   0  0  0  0  0
    9.7099    4.6559   -1.8105 H   0  0  0  0  0
    8.5489    6.7792   -1.3235 H   0  0  0  0  0
    6.1421    4.7661    1.6428 H   0  0  0  0  0
    7.3260    2.6692    1.1848 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 30  1  0  0  0
  4  5  2  0  0  0
  4 31  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  2  0  0  0
  6 32  1  0  0  0
  7 33  1  0  0  0
  8 14  1  0  0  0
  8  9  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
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 23 24  1  0  0  0
M  END

>  <Chemical Name>
SR-02000000351

>  <PubChem CID>
46172942

>  <Formula>
C18H12ClF3N2O2

>  <Molecular Weight>
380.751000

>  <IUPAC Name>
5-chloro-2-(4-methylphenyl)-4-[4-(trifluoromethyl)phenoxy]pyridazin-3-one

>  <XlogP>
4.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=CC=C(C=C1)N2C(=O)C(=C(C=N2)Cl)OC3=CC=C(C=C3)C(F)(F)F

>  <Isomeric SMILES>
CC1=CC=C(C=C1)N2C(=O)C(=C(C=N2)Cl)OC3=CC=C(C=C3)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C18H12ClF3N2O2/c1-11-2-6-13(7-3-11)24-17(25)16(15(19)10-23-24)26-14-8-4-12(5-9-14)18(20,21)22/h2-10H,1H3

>  <InChI Key>
DWXDDJWWZYYTMI-UHFFFAOYSA-N

