
 7-iodo-1,2,3,4-tetrahydroisoquinoline

 21 22  0  0  0  0  0  0  0  0999 V2000
   -1.2569    1.4756    0.0684 C   0  0  0  0  0
   -2.4544    0.6174   -0.3558 C   0  0  0  0  0
   -2.4459   -0.6718    0.3377 N   0  0  0  0  0
   -1.2757   -1.4587   -0.0689 C   0  0  0  0  0
    0.0287   -0.6948   -0.0073 C   0  0  0  0  0
    0.0428    0.7124    0.0111 C   0  0  0  0  0
    1.2643    1.3984    0.0409 C   0  0  0  0  0
    2.4691    0.6943    0.0225 C   0  0  0  0  0
    2.4544   -0.6982   -0.0184 C   0  0  0  0  0
    1.2454   -1.3940   -0.0358 C   0  0  0  0  0
    4.2493   -1.7480   -0.0556 I   0  0  0  0  0
   -1.4028    1.8273    1.0975 H   0  0  0  0  0
   -1.2025    2.3553   -0.5840 H   0  0  0  0  0
   -3.3799    1.1521   -0.1139 H   0  0  0  0  0
   -2.4515    0.4619   -1.4421 H   0  0  0  0  0
   -3.2873   -1.1935    0.1009 H   0  0  0  0  0
   -1.4160   -1.8244   -1.0938 H   0  0  0  0  0
   -1.2138   -2.3306    0.5909 H   0  0  0  0  0
    1.2816    2.4851    0.0811 H   0  0  0  0  0
    3.4060    1.2448    0.0429 H   0  0  0  0  0
    1.2380   -2.4809   -0.0693 H   0  0  0  0  0
  1  2  1  0  0  0
  1  6  1  0  0  0
  1 12  1  0  0  0
  1 13  1  0  0  0
  2  3  1  0  0  0
  2 14  1  0  0  0
  2 15  1  0  0  0
  3  4  1  0  0  0
  3 16  1  0  0  0
  4  5  1  0  0  0
  4 17  1  0  0  0
  4 18  1  0  0  0
  5 10  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 19  1  0  0  0
  8  9  1  0  0  0
  8 20  1  0  0  0
  9 10  2  0  0  0
  9 11  1  0  0  0
 10 21  1  0  0  0
M  END

>  <Chemical Name>
7-iodo-1,2,3,4-tetrahydroisoquinoline

>  <PubChem CID>
5288606

>  <Formula>
C9H10IN

>  <Molecular Weight>
259.090000

>  <IUPAC Name>
7-iodo-1,2,3,4-tetrahydroisoquinoline

>  <XlogP>
2.200

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
C1CNCC2=C1C=CC(=C2)I

>  <Isomeric SMILES>
C1CNCC2=C1C=CC(=C2)I

>  <InChI Std. ID>
InChI=1S/C9H10IN/c10-9-2-1-7-3-4-11-6-8(7)5-9/h1-2,5,11H,3-4,6H2

>  <InChI Key>
FFCFXJXBXUOFIU-UHFFFAOYSA-N

