| Entry |
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| Name |
1,2,3,4,6,7,8,9-Octachlorodibenzo-p-dioxin;
Octachlorodibenzo-p-dioxin;
OCDD;
PCDD 75
|
|---|
| Formula |
C12Cl8O2
|
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| Exact mass |
455.7407
|
|---|
| Mol weight |
459.7512
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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
PCDDs
C18180 1,2,3,4,6,7,8,9-Octachlorodibenzo-p-dioxin (PCDD 75)
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 22
1 C8y C 14.2800 -12.9500
2 C8y C 14.2800 -14.3500
3 C8y C 15.4924 -15.0500
4 C8y C 16.7049 -14.3500
5 C8y C 16.7049 -12.9500
6 C8y C 15.4924 -12.2500
7 O2x O 17.9173 -15.0500
8 C8y C 19.1297 -14.3500
9 C8y C 19.1297 -12.9500
10 O2x O 17.9173 -12.2500
11 C8y C 20.3422 -15.0500
12 C8y C 21.5546 -14.3500
13 C8y C 21.5546 -12.9500
14 C8y C 20.3422 -12.2500
15 X Cl 15.4924 -10.8502
16 X Cl 13.0676 -12.2500
17 X Cl 13.0676 -15.0500
18 X Cl 15.4924 -16.4498
19 X Cl 20.3422 -10.8503
20 X Cl 22.7711 -12.2477
21 X Cl 22.7711 -15.0523
22 X Cl 20.3422 -16.4497
BOND 24
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 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 8 11 2
13 11 12 1
14 12 13 2
15 13 14 1
16 9 14 2
17 6 15 1
18 1 16 1
19 2 17 1
20 3 18 1
21 14 19 1
22 13 20 1
23 12 21 1
24 11 22 1
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