KEGG   COMPOUND: C18141
Entry
C18141                      Compound                               
Name
Pentachlorobenzene;
1,2,3,4,5-Pentachlorobenzene;
PCB
Formula
C6HCl5
Exact mass
247.8521
Mol weight
250.33
Structure
Other DBs
CAS: 608-93-5
PubChem: 96024358
ChEBI: 47136
PDB-CCD: 5CL[PDBj]
NIKKAJI: J2.078H
LinkDB
KCF data

ATOM        11
            1   C8y C    22.1900  -20.4400
            2   C8y C    22.1900  -21.8400
            3   C8y C    23.4024  -22.5400
            4   C8y C    24.6149  -21.8400
            5   C8y C    24.6149  -20.4400
            6   C8x C    23.4024  -19.7400
            7   X   Cl   25.8460  -19.7290
            8   X   Cl   25.8460  -22.5510
            9   X   Cl   20.9776  -22.5400
            10  X   Cl   20.9776  -19.7400
            11  X   Cl   23.4024  -23.9398
BOND        11
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     4   8 1
            9     2   9 1
            10    1  10 1
            11    3  11 1

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