KEGG   COMPOUND: C11091
Entry
C11091                      Compound                               
Name
Hexachloro-1,3-butadiene;
HCBD;
Hexachlorobutadiene
Formula
C4Cl6
Exact mass
257.8131
Mol weight
260.7608
Structure
Other DBs
CAS: 87-68-3
PubChem: 13273
ChEBI: 5691
NIKKAJI: J3.541F
KCF data

ATOM        10
            1   X   Cl   25.2985  -16.2799
            2   C2c C    26.5117  -16.9782
            3   C2c C    27.7247  -16.2869
            4   C2c C    28.9308  -16.9851
            5   C2c C    30.1440  -16.2940
            6   X   Cl   31.3572  -16.9922
            7   X   Cl   26.5086  -18.3817
            8   X   Cl   27.7278  -14.8834
            9   X   Cl   28.9278  -18.3888
            10  X   Cl   30.1471  -14.8903
BOND        9
            1     2   3 2
            2     5   6 1
            3     1   2 1
            4     2   7 1
            5     3   4 1
            6     3   8 1
            7     4   9 1
            8     4   5 2
            9     5  10 1

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