KEGG   COMPOUND: C18116
Entry
C18116                      Compound                               
Name
2,3,4,3',4'-Pentachlorobiphenyl;
PCB 105
Formula
C12H5Cl5
Exact mass
323.8834
Mol weight
326.4331
Structure
Pathway
map00621  Dioxin degradation
Brite
Endocrine disrupting compounds [BR:br08006]
 Dioxins and dioxin-like compounds
  Mono-ortho PCBs
   C18116  2,3,4,3',4'-Pentachlorobiphenyl (PCB 105)
Other DBs
CAS: 32598-14-4
PubChem: 96024333
ChEBI: 81518
NIKKAJI: J70.043F
LinkDB
KCF data

ATOM        17
            1   C8x C    14.6300  -29.8200
            2   C8x C    16.0300  -29.8200
            3   C8y C    16.7300  -28.6076
            4   C8x C    16.0300  -27.3951
            5   C8y C    14.6300  -27.3951
            6   C8y C    13.9300  -28.6076
            7   C8y C    18.1298  -28.6076
            8   C8x C    18.8397  -29.8368
            9   C8x C    20.2397  -29.8366
            10  C8y C    20.9396  -28.6241
            11  C8y C    20.2297  -27.3949
            12  C8y C    18.8297  -27.3951
            13  X   Cl   18.1186  -26.1642
            14  X   Cl   20.9406  -26.1637
            15  X   Cl   22.3300  -28.6240
            16  X   Cl   13.9190  -26.1640
            17  X   Cl   12.5302  -28.6076
BOND        18
            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     3   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12   11  12 2
            13    7  12 1
            14   12  13 1
            15   11  14 1
            16   10  15 1
            17    5  16 1
            18    6  17 1

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