
 Imidacloprid

 27 28  0  0  0  0  0  0  0  0999 V2000
    0.2107    1.6097   -0.3684 C   0  0  0  0  0
   -0.9848    0.6689   -0.4894 C   0  0  0  0  0
   -0.3401   -0.6307   -0.3843 N   0  0  0  0  0
    0.9120   -0.4341    0.1596 C   0  0  0  0  0
    1.3067    0.8085    0.2312 N   0  0  0  0  0
    1.5938   -1.5517    0.5300 N   0  0  0  0  0
    2.7602   -1.3870    1.1747 N   0  0  0  0  0
    3.6612   -2.1123    0.7463 O   0  0  0  0  0
    2.7783   -0.6979    2.1960 O   0  0  0  0  0
   -1.1930   -1.7860   -0.1585 C   0  0  0  0  0
   -0.9379   -2.8383   -1.2044 C   0  0  0  0  0
   -1.1641   -2.5667   -2.5528 C   0  0  0  0  0
   -0.9775   -3.4571   -3.5511 N   0  0  0  0  0
   -0.5411   -4.6789   -3.1900 C   0  0  0  0  0
   -0.2836   -5.0599   -1.8844 C   0  0  0  0  0
   -0.4902   -4.1218   -0.8744 C   0  0  0  0  0
   -0.3196   -5.7745   -4.4891 Cl  0  0  0  0  0
   -0.0241    2.4757    0.2577 H   0  0  0  0  0
    0.5304    1.9688   -1.3531 H   0  0  0  0  0
   -1.5161    0.7948   -1.4374 H   0  0  0  0  0
   -1.6810    0.8267    0.3423 H   0  0  0  0  0
    1.6042   -2.2458   -0.1979 H   0  0  0  0  0
   -2.2541   -1.5090   -0.2103 H   0  0  0  0  0
   -1.0360   -2.1869    0.8505 H   0  0  0  0  0
   -1.5125   -1.5893   -2.8794 H   0  0  0  0  0
    0.0644   -6.0611   -1.6555 H   0  0  0  0  0
   -0.3057   -4.4028    0.1602 H   0  0  0  0  0
  1  2  1  0  0  0
  1  5  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  2  3  1  0  0  0
  2 20  1  0  0  0
  2 21  1  0  0  0
  3  4  1  0  0  0
  3 10  1  0  0  0
  4  5  2  0  0  0
  4  6  1  0  0  0
  6  7  1  0  0  0
  6 22  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
 10 11  1  0  0  0
 10 23  1  0  0  0
 10 24  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 25  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 14 17  1  0  0  0
 15 16  2  0  0  0
 15 26  1  0  0  0
 16 27  1  0  0  0
M  CHG  2   7   1   9  -1
M  END

>  <Chemical Name>
Imidacloprid

>  <PubChem CID>
86418

>  <Formula>
C9H10ClN5O2

>  <Molecular Weight>
255.662000

>  <IUPAC Name>
N-[1-[(6-chloropyridin-3-yl)methyl]-4,5-dihydroimidazol-2-yl]nitramide

>  <XlogP>
0.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN(C(=N1)N[N+](=O)[O-])CC2=CN=C(C=C2)Cl

>  <Isomeric SMILES>
C1CN(C(=N1)N[N+](=O)[O-])CC2=CN=C(C=C2)Cl

>  <InChI Std. ID>
InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)

>  <InChI Key>
YWTYJOPNNQFBPC-UHFFFAOYSA-N

