55102
  -OEChem-05241302312D

 21 23  0     0  0  0  0  0  0999 V2000
    4.6397   -1.9350    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.3697   -1.9350    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.6271    1.9350    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4234    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.5047    1.3360    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0047   -0.2029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0047   -0.2029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6957    0.7482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3137    0.7482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3197   -0.9876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6897   -0.9876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6803    0.9804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3291    0.9804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2992   -0.7789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7102   -0.7789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9773    0.2118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0321    0.2118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4955    1.5723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8861   -1.2412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1233   -1.2412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6380    0.3430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  2 11  1  0  0  0  0
  3 13  1  0  0  0  0
  4 16  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6 10  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  2  0  0  0  0
 10 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 12 18  1  0  0  0  0
 13 17  1  0  0  0  0
 14 16  1  0  0  0  0
 14 19  1  0  0  0  0
 15 17  2  0  0  0  0
 15 20  1  0  0  0  0
 17 21  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
55102

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
300

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBwIAAHAAAAAAAAAAAAAAAAASAAAAAwYAAAAAAAAEgB/AAAGgIAAAAADAaAmCAwBsAABECIAqBSAAACCAAkJUAIiAEGC8hMJjOFNxqCOSCkwBEIrYeIyOCOhAAQIQCJCAAIACBCARIQAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1,3,6,9-tetrachlorodibenzofuran

> <PUBCHEM_IUPAC_CAS_NAME>
1,3,6,9-tetrachlorodibenzofuran

> <PUBCHEM_IUPAC_NAME>
1,3,6,9-tetrachlorodibenzofuran

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1,3,6,9-tetrakis(chloranyl)dibenzofuran

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1,3,6,9-tetrachlorodibenzofuran

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H4Cl4O/c13-5-3-8(16)10-9(4-5)17-12-7(15)2-1-6(14)11(10)12/h1-4H

> <PUBCHEM_IUPAC_INCHIKEY>
NJQQZRLWVLWNGD-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
6.4

> <PUBCHEM_EXACT_MASS>
305.898675

> <PUBCHEM_MOLECULAR_FORMULA>
C12H4Cl4O

> <PUBCHEM_MOLECULAR_WEIGHT>
305.97156

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=C2C(=C1Cl)C3=C(C=C(C=C3O2)Cl)Cl)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=C2C(=C1Cl)C3=C(C=C(C=C3O2)Cl)Cl)Cl

> <PUBCHEM_CACTVS_TPSA>
13.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
303.901625

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <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

> <PUBCHEM_BONDANNOTATIONS>
10  14  8
11  15  8
12  16  8
13  17  8
14  16  8
15  17  8
5  8  8
5  9  8
6  10  8
6  7  8
6  8  8
7  11  8
7  9  8
8  12  8
9  13  8

$$$$