COMPOUND: C18139
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Entry
C18139 Compound
Name
2,2',3,3',4',5,6'-Heptabromodiphenyl ether;
1,2,3,5-Tetrabromo-4-(2,3,5-tribromophenoxy)-benzene;
BDE 175
Formula
C12H3Br7O
Exact mass
715.4468
Mol weight
722.4796
Structure
Mol file
KCF file
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Other DBs
PubChem:
96024356
ChEBI:
81536
NIKKAJI:
J248.357B
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KCF data
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ATOM 20
1 C8y C 20.0200 -25.2000
2 C8y C 20.0200 -26.6000
3 C8x C 21.2100 -27.3000
4 C8y C 22.4000 -26.6000
5 C8y C 22.4000 -25.2000
6 C8y C 21.2100 -24.5000
7 O2a O 23.6600 -24.5000
8 C8y C 24.8500 -25.1300
9 C8x C 24.8500 -26.6000
10 C8y C 26.1100 -27.3000
11 C8x C 27.3000 -26.6000
12 C8y C 27.3000 -25.1300
13 C8y C 26.1100 -24.4300
14 X Br 21.2100 -23.1000
15 X Br 26.1100 -28.7000
16 X Br 23.5900 -27.3000
17 X Br 18.8300 -27.3000
18 X Br 18.8047 -24.5049
19 X Br 26.1272 -23.0301
20 X Br 28.5153 -24.4349
BOND 21
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 6 14 1
16 10 15 1
17 4 16 1
18 2 17 1
19 1 18 1
20 13 19 1
21 12 20 1
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