| Entry |
|
|---|
| Name |
1,2,3,7,8-Pentachlorodibenzofuran;
1,2,3,7,8-PeCDF;
PCDF 94
|
|---|
| Formula |
C12H3Cl5O
|
|---|
| Exact mass |
337.8627
|
|---|
| Mol weight |
340.4166
|
|---|
| Structure |
|
|---|
| Pathway |
|
|---|
| Brite |
Endocrine disrupting compounds [BR:br08006]
Dioxins and dioxin-like compounds
PCDFs
C18105 1,2,3,7,8-Pentachlorodibenzofuran (PCDF 94)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 18
1 C8y C 22.5400 -25.9000
2 C8y C 22.5400 -27.3000
3 O2x O 23.7300 -27.9300
4 C8y C 24.8500 -27.3000
5 C8y C 24.8500 -25.9000
6 C8x C 21.3500 -25.2700
7 C8y C 20.2300 -25.9000
8 C8y C 20.2300 -27.3000
9 C8x C 21.3500 -27.9300
10 C8x C 26.0400 -27.9300
11 C8y C 27.2300 -27.3000
12 C8y C 27.2300 -25.9000
13 C8y C 26.0400 -25.2700
14 X Cl 28.3500 -25.2700
15 X Cl 28.3500 -27.9300
16 X Cl 19.0400 -25.2700
17 X Cl 19.0400 -27.9300
18 X Cl 26.0400 -23.8700
BOND 20
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 13 18 1
|
|---|
|
