
 8,9-dichloro-2,3,4,5-tetrahydro-1H-2-benzazepine

 24 25  0  0  0  0  0  0  0  0999 V2000
    1.8171    1.6108   -0.2739 C   0  0  0  0  0
    0.7496    1.5009    0.8144 C   0  0  0  0  0
   -0.3823    0.5774    0.4230 C   0  0  0  0  0
   -0.1585   -0.8010    0.1791 C   0  0  0  0  0
    1.2423   -1.3536    0.3444 C   0  0  0  0  0
    2.1595   -0.8546   -0.6826 N   0  0  0  0  0
    2.7766    0.4211   -0.3255 C   0  0  0  0  0
   -1.2497   -1.6087   -0.2201 C   0  0  0  0  0
   -2.5298   -1.0446   -0.3633 C   0  0  0  0  0
   -2.7356    0.3108   -0.1113 C   0  0  0  0  0
   -1.6707    1.1158    0.2800 C   0  0  0  0  0
   -3.9129   -1.9685   -0.8494 Cl  0  0  0  0  0
   -1.0295   -3.3046   -0.5383 Cl  0  0  0  0  0
    1.3511    1.7606   -1.2560 H   0  0  0  0  0
    2.4167    2.5078   -0.0739 H   0  0  0  0  0
    1.1834    1.1736    1.7670 H   0  0  0  0  0
    0.3507    2.5065    1.0010 H   0  0  0  0  0
    1.6109   -1.1493    1.3585 H   0  0  0  0  0
    1.2484   -2.4449    0.2815 H   0  0  0  0  0
    2.9016   -1.5433   -0.8061 H   0  0  0  0  0
    3.5349    0.6420   -1.0863 H   0  0  0  0  0
    3.3186    0.3294    0.6243 H   0  0  0  0  0
   -3.7240    0.7493   -0.2249 H   0  0  0  0  0
   -1.8505    2.1740    0.4604 H   0  0  0  0  0
  1  7  1  0  0  0
  1  2  1  0  0  0
  1 14  1  0  0  0
  1 15  1  0  0  0
  2  3  1  0  0  0
  2 16  1  0  0  0
  2 17  1  0  0  0
  3  4  2  0  0  0
  3 11  1  0  0  0
  4  5  1  0  0  0
  4  8  1  0  0  0
  5  6  1  0  0  0
  5 18  1  0  0  0
  5 19  1  0  0  0
  6  7  1  0  0  0
  6 20  1  0  0  0
  7 21  1  0  0  0
  7 22  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 12  1  0  0  0
 10 11  2  0  0  0
 10 23  1  0  0  0
 11 24  1  0  0  0
M  END

>  <Chemical Name>
8,9-dichloro-2,3,4,5-tetrahydro-1H-2-benzazepine

>  <PubChem CID>
121938

>  <Formula>
C10H11Cl2N

>  <Molecular Weight>
216.105000

>  <IUPAC Name>
8,9-dichloro-2,3,4,5-tetrahydro-1H-2-benzazepine

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
C1CC2=C(CNC1)C(=C(C=C2)Cl)Cl

>  <Isomeric SMILES>
C1CC2=C(CNC1)C(=C(C=C2)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C10H11Cl2N/c11-9-4-3-7-2-1-5-13-6-8(7)10(9)12/h3-4,13H,1-2,5-6H2

>  <InChI Key>
IADAQXMUWITWNG-UHFFFAOYSA-N

