| Entry |
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|---|
| Name |
2,2',4,4',5-Pentabromodiphenyl ether;
PBDE 99;
BDE 99
|
|---|
| Formula |
C12H5Br5O
|
|---|
| Exact mass |
559.6257
|
|---|
| Mol weight |
564.6875
|
|---|
| Structure |
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|---|
| Brite |
Endocrine disrupting compounds [BR:br08006]
Flame retardants
PBDEs
C18203 2,2',4,4',5-Pentabromodiphenyl ether (PBDE 99)
|
|---|
| Other DBs |
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|---|
| LinkDB |
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|---|
| KCF data |
ATOM 18
1 C8y C 19.5300 -15.9600
2 C8y C 19.5300 -17.3600
3 C8x C 20.7424 -18.0600
4 C8y C 21.9549 -17.3600
5 C8y C 21.9549 -15.9600
6 C8x C 20.7424 -15.2600
7 O2a O 23.1860 -15.2490
8 C8y C 24.3912 -15.9447
9 C8x C 24.3916 -17.3596
10 C8x C 25.6042 -18.0593
11 C8y C 26.8165 -17.3589
12 C8x C 26.8160 -15.9439
13 C8y C 25.6034 -15.2443
14 X Br 25.6032 -13.8601
15 X Br 28.0247 -18.0560
16 X Br 18.3176 -15.2600
17 X Br 18.3176 -18.0600
18 X Br 23.1860 -18.0710
BOND 19
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 1 16 1
18 2 17 1
19 4 18 1
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|---|
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