
 AC1MCKWV

 22 22  0  0  0  0  0  0  0  0999 V2000
   -1.2099    0.3307   -0.0131 C   0  0  0  0  0
   -0.4916    1.5291   -0.0180 C   0  0  0  0  0
    0.9042    1.5139   -0.1156 C   0  0  0  0  0
    1.5834    0.2927   -0.2106 C   0  0  0  0  0
    0.8666   -0.9071   -0.2066 C   0  0  0  0  0
   -0.5279   -0.8851   -0.1066 C   0  0  0  0  0
   -1.3047   -2.1386   -0.0919 C   0  0  0  0  0
   -0.7325   -3.2980   -0.1627 N   0  0  0  0  0
   -1.6920   -4.3169   -0.1221 N   0  0  0  0  0
   -1.1597   -5.4935   -0.2111 C   0  0  0  0  0
    0.1624   -5.7557   -0.3532 N   0  0  0  0  0
   -1.8785   -6.6374   -0.1713 N   0  0  0  0  0
    3.3049    0.1992   -0.3330 Cl  0  0  0  0  0
    1.7252    3.0336   -0.1123 Cl  0  0  0  0  0
   -2.2947    0.3580    0.0650 H   0  0  0  0  0
   -1.0258    2.4740    0.0561 H   0  0  0  0  0
    1.3937   -1.8552   -0.2808 H   0  0  0  0  0
   -2.4043   -2.0492   -0.0147 H   0  0  0  0  0
    0.6534   -4.8703   -0.2395 H   0  0  0  0  0
    0.4845   -6.4300    0.3289 H   0  0  0  0  0
   -2.8690   -6.4479   -0.2788 H   0  0  0  0  0
   -1.5533   -7.3129   -0.8520 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 15  1  0  0  0
  2  3  1  0  0  0
  2 16  1  0  0  0
  3  4  2  0  0  0
  3 14  1  0  0  0
  4  5  1  0  0  0
  4 13  1  0  0  0
  5  6  2  0  0  0
  5 17  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 18  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
 10 12  1  0  0  0
 10 11  1  0  0  0
 11 19  1  0  0  0
 11 20  1  0  0  0
 12 21  1  0  0  0
 12 22  1  0  0  0
M  END

>  <Chemical Name>
AC1MCKWV

>  <PubChem CID>
2746194

>  <Formula>
C8H8Cl2N4

>  <Molecular Weight>
231.080000

>  <IUPAC Name>
2-[(3,4-dichlorophenyl)methylideneamino]guanidine

>  <XlogP>
1.900

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1=CC(=C(C=C1C=NN=C(N)N)Cl)Cl

>  <Isomeric SMILES>
C1=CC(=C(C=C1C=NN=C(N)N)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C8H8Cl2N4/c9-6-2-1-5(3-7(6)10)4-13-14-8(11)12/h1-4H,(H4,11,12,14)

>  <InChI Key>
QITKCQWRUKVTKJ-UHFFFAOYSA-N

