| Entry |
|
|---|
| Name |
2,3',4,4',5'-Pentachlorobiphenyl;
PCB 123
|
|---|
| Formula |
C12H5Cl5
|
|---|
| Exact mass |
323.8834
|
|---|
| Mol weight |
326.4331
|
|---|
| Structure |
|
|---|
| Pathway |
|
|---|
| Brite |
Endocrine disrupting compounds [BR:br08006]
Dioxins and dioxin-like compounds
Mono-ortho PCBs
C18119 2,3',4,4',5'-Pentachlorobiphenyl (PCB 123)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
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|---|
| KCF data |
ATOM 17
1 C8x C 26.4600 -24.7100
2 C8y C 25.0600 -24.7100
3 C8y C 24.3600 -25.9000
4 C8x C 25.0600 -27.0900
5 C8x C 26.4600 -27.0900
6 C8y C 27.1600 -25.9000
7 C8y C 22.9600 -25.9000
8 C8x C 22.2600 -24.6400
9 C8y C 20.8600 -24.6400
10 C8y C 20.1600 -25.9000
11 C8y C 20.8600 -27.0900
12 C8x C 22.2600 -27.0900
13 X Cl 18.7600 -25.9000
14 X Cl 20.1600 -23.4500
15 X Cl 20.1600 -28.3500
16 X Cl 28.5600 -25.9000
17 X Cl 24.3649 -23.4947
BOND 18
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 9 14 1
16 11 15 1
17 6 16 1
18 2 17 1
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|---|
