12418
  -OEChem-11232504072D

  8  7  0     0  0  0  0  0  0999 V2000
    2.0000   -0.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    0.8660    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -0.8660    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306    0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335    0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  2  5  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
12418

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
35.3

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQBAAAAHAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGAIAAAAAAAOAAMAAAAAAAAAAAAAAAAAAAAAAAAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1,1,1,2-tetrachloroethane

> <PUBCHEM_IUPAC_CAS_NAME>
1,1,1,2-tetrachloroethane

> <PUBCHEM_IUPAC_NAME_MARKUP>
1,1,1,2-tetrachloroethane

> <PUBCHEM_IUPAC_NAME>
1,1,1,2-tetrachloroethane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1,1,1,2-tetrakis(chloranyl)ethane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1,1,1,2-tetrachloroethane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C2H2Cl4/c3-1-2(4,5)6/h1H2

> <PUBCHEM_IUPAC_INCHIKEY>
QVLAWKAXOMEXPM-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.7

> <PUBCHEM_EXACT_MASS>
167.888111

> <PUBCHEM_MOLECULAR_FORMULA>
C2H2Cl4

> <PUBCHEM_MOLECULAR_WEIGHT>
167.8

> <PUBCHEM_SMILES>
C(C(Cl)(Cl)Cl)Cl

> <PUBCHEM_CONNECTIVITY_SMILES>
C(C(Cl)(Cl)Cl)Cl

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
165.891061

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
6

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$
