| Entry |
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|---|
| Name |
1,2,3,4,7,8-Hexachlorodibenzodioxin;
1,2,3,4,7,8-Hexachlorodibenzo-p-dioxin;
1,2,3,4,7,8-HxCDD;
PCDD 66
|
|---|
| Formula |
C12H2Cl6O2
|
|---|
| Exact mass |
387.8186
|
|---|
| Mol weight |
390.8611
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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
C18100 1,2,3,4,7,8-Hexachlorodibenzodioxin (PCDD 66)
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 20
1 C8y C 24.8500 -25.9000
2 C8y C 24.8500 -27.3000
3 O2x O 23.6600 -25.2000
4 C8y C 26.1100 -25.2000
5 O2x O 23.6600 -28.0000
6 C8y C 26.1100 -28.0000
7 C8y C 22.4700 -25.9000
8 C8y C 27.3000 -25.9000
9 C8y C 22.4700 -27.3000
10 C8y C 27.3000 -27.3000
11 C8x C 21.2100 -25.2000
12 X Cl 28.4900 -25.2000
13 C8x C 21.2100 -28.0000
14 X Cl 28.4900 -28.0000
15 C8y C 20.0200 -25.9000
16 C8y C 20.0200 -27.3000
17 X Cl 18.8300 -25.2000
18 X Cl 18.8300 -28.0000
19 X Cl 26.1100 -23.8000
20 X Cl 26.1272 -29.3999
BOND 22
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 4 8 2
8 5 9 1
9 6 10 2
10 7 11 1
11 8 12 1
12 9 13 1
13 10 14 1
14 11 15 2
15 13 16 2
16 15 17 1
17 16 18 1
18 7 9 2
19 8 10 1
20 15 16 1
21 4 19 1
22 6 20 1
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