Entry |
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Name |
3,4,5,3',4',5'-Hexachlorobiphenyl;
PCB 169
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Formula |
C12H4Cl6
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Exact mass |
357.8444
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Mol weight |
360.8782
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Structure |
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Pathway |
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Brite |
Endocrine disrupting compounds [BR:br08006]
Dioxins and dioxin-like compounds
Non-ortho (coplanar) PCBs
C18115 3,4,5,3',4',5'-Hexachlorobiphenyl (PCB 169)
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Other DBs |
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LinkDB |
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KCF data |
ATOM 18
1 C8y C 20.9300 -27.1600
2 C8x C 22.3300 -27.1600
3 C8y C 22.9600 -25.9700
4 C8x C 22.3300 -24.7800
5 C8y C 20.9300 -24.7800
6 C8y C 20.2300 -25.9700
7 C8y C 24.3600 -25.9700
8 C8x C 25.1300 -27.1600
9 C8y C 26.5300 -27.1600
10 C8y C 27.1600 -25.9700
11 C8y C 26.4600 -24.7800
12 C8x C 25.0600 -24.7800
13 X Cl 20.1600 -23.5200
14 X Cl 18.8300 -25.9700
15 X Cl 27.2300 -23.5200
16 X Cl 28.5600 -25.9700
17 X Cl 27.1600 -28.3500
18 X Cl 20.2349 -28.3753
BOND 19
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 5 13 1
15 6 14 1
16 11 15 1
17 10 16 1
18 9 17 1
19 1 18 1
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