| | COMPOUND: C18117 | |
Entry |
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Name |
2,3,4,4',5-Pentachlorobiphenyl;
PCB 114
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Formula |
C12H5Cl5
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Exact mass |
323.8834
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Mol weight |
326.4331
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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
Mono-ortho PCBs
C18117 2,3,4,4',5-Pentachlorobiphenyl (PCB 114)
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Other DBs |
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KCF data |
ATOM 17
1 C8x C 20.8600 -27.7200
2 C8x C 22.2600 -27.7200
3 C8y C 22.9600 -26.5300
4 C8x C 22.2600 -25.3400
5 C8x C 20.8600 -25.3400
6 C8y C 20.1600 -26.5300
7 C8y C 24.3600 -26.5300
8 C8x C 25.0600 -27.7900
9 C8y C 26.4600 -27.7900
10 C8y C 27.1600 -26.5300
11 C8y C 26.4600 -25.3400
12 C8y C 25.0600 -25.3400
13 X Cl 24.3600 -24.0800
14 X Cl 27.1600 -24.0800
15 X Cl 28.5600 -26.5300
16 X Cl 18.7600 -26.5300
17 X Cl 27.1700 -28.9966
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 12 13 1
15 11 14 1
16 10 15 1
17 6 16 1
18 9 17 1
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