COMPOUND: C18137
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Entry
C18137 Compound
Name
2,2',4,4',5,5'-Hexabromodiphenyl ether;
BDE 153
Formula
C12H4Br6O
Exact mass
637.5362
Mol weight
643.5836
Structure
Mol file
KCF file
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CAS:
68631-49-2
PubChem:
96024354
ChEBI:
81534
NIKKAJI:
J201.390H
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KCF data
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ATOM 19
1 C8x C 15.8200 -26.1100
2 C8y C 15.8200 -27.5100
3 C8y C 17.0324 -28.2100
4 C8x C 18.2449 -27.5100
5 C8y C 18.2449 -26.1100
6 C8y C 17.0324 -25.4100
7 O2a O 19.4760 -25.3990
8 C8y C 20.6812 -26.0947
9 C8x C 20.6816 -27.5096
10 C8y C 21.8943 -28.2093
11 C8y C 23.1065 -27.5089
12 C8x C 23.1061 -26.0939
13 C8y C 21.8934 -25.3943
14 X Br 17.0324 -24.0102
15 X Br 21.8932 -24.0101
16 X Br 17.0324 -29.6098
17 X Br 14.6076 -28.2100
18 X Br 21.8947 -29.6099
19 X Br 24.3148 -28.2060
BOND 20
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 13 15 1
17 3 16 1
18 2 17 1
19 10 18 1
20 11 19 1
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