| Entry |
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|---|
| Name |
2,3,3',4,4',5,5'-Heptachlorobiphenyl;
PCB 189
|
|---|
| Formula |
C12H3Cl7
|
|---|
| Exact mass |
391.8054
|
|---|
| Mol weight |
395.31
|
|---|
| Structure |
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|---|
| Pathway |
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|---|
| Brite |
Endocrine disrupting compounds [BR:br08006]
Dioxins and dioxin-like compounds
Mono-ortho PCBs
C18123 2,3,3',4,4',5,5'-Heptachlorobiphenyl (PCB 189)
|
|---|
| Other DBs |
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|---|
| LinkDB |
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| KCF data |
ATOM 19
1 C8y C 26.4600 -24.7800
2 C8y C 25.0600 -24.7800
3 C8y C 24.3600 -25.9700
4 C8x C 25.0600 -27.1600
5 C8y C 26.4600 -27.1600
6 C8y C 27.1600 -25.9700
7 C8y C 22.9600 -25.9700
8 C8x C 22.2600 -24.7100
9 C8y C 20.8600 -24.7100
10 C8y C 20.1600 -25.9700
11 C8y C 20.8600 -27.1600
12 C8x C 22.2600 -27.1600
13 X Cl 18.7600 -25.9700
14 X Cl 28.5600 -25.9700
15 X Cl 24.3600 -23.5900
16 X Cl 20.0900 -23.4500
17 X Cl 20.1600 -28.3500
18 X Cl 27.1600 -28.3500
19 X Cl 27.1551 -23.5647
BOND 20
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 10 13 1
15 6 14 1
16 2 15 1
17 9 16 1
18 11 17 1
19 5 18 1
20 1 19 1
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|---|
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