| Entry |
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|---|
| Name |
1,2,3,4,6,7,8-Heptachlorodibenzofuran;
1,2,3,4,6,7,8-HpCDF;
PCDF 131
|
|---|
| Formula |
C12HCl7O
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|---|
| Exact mass |
405.7847
|
|---|
| Mol weight |
409.3067
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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
PCDFs
C18111 1,2,3,4,6,7,8-Heptachlorodibenzofuran (PCDF 131)
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 20
1 C8y C 22.5400 -24.5000
2 C8y C 22.5400 -25.9000
3 O2x O 23.7300 -26.5300
4 C8y C 24.8500 -25.9000
5 C8y C 24.8500 -24.5000
6 C8x C 21.3500 -23.8700
7 C8y C 20.2300 -24.5000
8 C8y C 20.2300 -25.9000
9 C8y C 21.3500 -26.5300
10 C8y C 26.0400 -26.5300
11 C8y C 27.2300 -25.9000
12 C8y C 27.2300 -24.5000
13 C8y C 26.0400 -23.8700
14 X Cl 28.3500 -23.8700
15 X Cl 28.3500 -26.5300
16 X Cl 18.9700 -23.8700
17 X Cl 18.9700 -26.5300
18 X Cl 21.3500 -27.9300
19 X Cl 26.0400 -27.9300
20 X Cl 26.0400 -22.4700
BOND 22
1 1 2 2
2 2 3 1
3 3 4 1
4 4 5 2
5 1 5 1
6 1 6 1
7 6 7 2
8 7 8 1
9 8 9 2
10 2 9 1
11 4 10 1
12 10 11 2
13 11 12 1
14 12 13 2
15 5 13 1
16 12 14 1
17 11 15 1
18 7 16 1
19 8 17 1
20 9 18 1
21 10 19 1
22 13 20 1
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