-OEChem-10311114422D

  9  9  0     0  0  0  0  0  0999 V2000
    4.6082   -2.6589    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.6082    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.6589    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4561   -1.9953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4561   -0.6636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1520   -1.9953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3041   -2.6589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3041    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1520   -0.6636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  8  9  2  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
48424361

> <PUBCHEM_SUBSTANCE_VERSION>
2

> <PUBCHEM_EXT_DATASOURCE_NAME>
EPA DSSTox

> <PUBCHEM_EXT_DATASOURCE_REGID>
32724

> <PUBCHEM_SUBSTANCE_COMMENT>
Substance included in EPA DSSTox NTPHTS: National Toxicology Program (NTP) High Throughput Screening Project Structure-Index File <a href="http://www.epa.gov/ncct/dsstox/sdf_ntphts.html"target="_blank">[link to DSSTox SDF Download Page]</a>
Structure Shown: tested chemical
For further information visit the National Institute of Environmental Health Sciences (NIEHS) NTP High Throughput Screening Initiative <a href="http://ntp.niehs.nih.gov/index.cfm?objectid=05F80E15-F1F6-975E-77DDEDBDF3B941CD"target="_blank">Website</a>

> <PUBCHEM_SUBSTANCE_SYNONYM>
1,2,4-Trichlorobenzene
120-82-1

> <PUBCHEM_GENERIC_REGISTRY_NAME>
120-82-1

> <PUBCHEM_XREF_EXT_ID>
32724

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.epa.gov/ncct/dsstox/sdf_ntphts.html

> <PUBCHEM_CID_ASSOCIATIONS>
13  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$