| Entry |
|
|---|
| Name |
2,2',4,4'-Tetrabromodiphenyl ether;
PBDE 47;
BDE 47
|
|---|
| Formula |
C12H6Br4O
|
|---|
| Exact mass |
481.7152
|
|---|
| Mol weight |
485.7914
|
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| Structure |
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|---|
| Pathway |
| map05208 | Chemical carcinogenesis - reactive oxygen species |
|
|---|
| Brite |
Endocrine disrupting compounds [BR:br08006]
Flame retardants
PBDEs
C18205 2,2',4,4'-Tetrabromodiphenyl ether (PBDE 47)
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| Other DBs |
|
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| LinkDB |
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| KCF data |
ATOM 17
1 C8x C 15.2600 -15.9600
2 C8y C 15.2600 -17.3600
3 C8x C 16.4724 -18.0600
4 C8y C 17.6849 -17.3600
5 C8y C 17.6849 -15.9600
6 C8x C 16.4724 -15.2600
7 O2a O 18.9160 -15.2490
8 C8y C 20.1212 -15.9447
9 C8x C 20.1216 -17.3596
10 C8x C 21.3342 -18.0593
11 C8y C 22.5465 -17.3589
12 C8x C 22.5460 -15.9439
13 C8y C 21.3334 -15.2443
14 X Br 21.3332 -13.8601
15 X Br 23.7547 -18.0560
16 X Br 14.0476 -18.0600
17 X Br 18.9160 -18.0710
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 5 7 1
8 7 8 1
9 8 9 2
10 9 10 1
11 10 11 2
12 11 12 1
13 12 13 2
14 8 13 1
15 13 14 1
16 11 15 1
17 2 16 1
18 4 17 1
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|---|
