
 haloprogin

 18 18  0  0  0  0  0  0  0  0999 V2000
   -1.1287    0.2231   -0.2146 C   0  0  0  0  0
    0.2097    0.1753    0.1890 C   0  0  0  0  0
    0.7669   -1.0672    0.5371 C   0  0  0  0  0
    0.0034   -2.2362    0.4872 C   0  0  0  0  0
   -1.3307   -2.1782    0.0854 C   0  0  0  0  0
   -1.8968   -0.9487   -0.2663 C   0  0  0  0  0
   -3.5424   -0.8022   -0.7761 Cl  0  0  0  0  0
   -2.2240   -3.6558    0.0441 Cl  0  0  0  0  0
    2.4150   -1.2032    1.0434 Cl  0  0  0  0  0
    1.0383    1.2630    0.2688 O   0  0  0  0  0
    0.4968    2.5507   -0.0179 C   0  0  0  0  0
    1.5486    3.5569    0.1575 C   0  0  0  0  0
    2.4099    4.3810    0.3002 C   0  0  0  0  0
    3.8999    5.8049    0.5466 I   0  0  0  0  0
   -1.6035    1.1572   -0.4978 H   0  0  0  0  0
    0.4504   -3.1887    0.7616 H   0  0  0  0  0
   -0.3303    2.7707    0.6672 H   0  0  0  0  0
    0.1374    2.5839   -1.0530 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  2  0  0  0
  1 15  1  0  0  0
  2  3  1  0  0  0
  2 10  1  0  0  0
  3  4  2  0  0  0
  3  9  1  0  0  0
  4  5  1  0  0  0
  4 16  1  0  0  0
  5  6  2  0  0  0
  5  8  1  0  0  0
  6  7  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 11 17  1  0  0  0
 11 18  1  0  0  0
 12 13  3  0  0  0
 13 14  1  0  0  0
M  END

>  <Chemical Name>
haloprogin

>  <PubChem CID>
3561

>  <Formula>
C9H4Cl3IO

>  <Molecular Weight>
361.384000

>  <IUPAC Name>
1,2,4-trichloro-5-(3-iodoprop-2-ynoxy)benzene

>  <XlogP>
4.600

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
C1=C(C(=CC(=C1Cl)Cl)Cl)OCC#CI

>  <Isomeric SMILES>
C1=C(C(=CC(=C1Cl)Cl)Cl)OCC#CI

>  <InChI Std. ID>
InChI=1S/C9H4Cl3IO/c10-6-4-8(12)9(5-7(6)11)14-3-1-2-13/h4-5H,3H2

>  <InChI Key>
CTETYYAZBPJBHE-UHFFFAOYSA-N

