COMPOUND: C18104
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Entry
C18104 Compound
Name
2,3,7,8-Tetrachlorodibenzofuran;
2,3,7,8-TCDF;
PCDF 83
Formula
C12H4Cl4O
Exact mass
303.9016
Mol weight
305.9716
Structure
Mol file
KCF file
DB search
Pathway
map00621
Dioxin degradation
Brite
Endocrine disrupting compounds [BR:
br08006
]
Dioxins and dioxin-like compounds
PCDFs
C18104 2,3,7,8-Tetrachlorodibenzofuran (PCDF 83)
BRITE hierarchy
Other DBs
CAS:
51207-31-9
PubChem:
96024321
ChEBI:
81506
NIKKAJI:
J366.845B
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KCF data
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ATOM 17
1 C8y C 20.7200 -16.2400
2 C8y C 20.7200 -17.6400
3 O2x O 21.9324 -18.3400
4 C8y C 23.1449 -17.6400
5 C8y C 23.1449 -16.2400
6 C8x C 19.5076 -15.5400
7 C8y C 18.2951 -16.2400
8 C8y C 18.2951 -17.6400
9 C8x C 19.5076 -18.3400
10 C8x C 24.3573 -18.3400
11 C8y C 25.5697 -17.6400
12 C8y C 25.5697 -16.2400
13 C8x C 24.3573 -15.5400
14 X Cl 26.7673 -15.5485
15 X Cl 26.7673 -18.3315
16 X Cl 17.0640 -15.5290
17 X Cl 17.0640 -18.3510
BOND 19
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
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