COMPOUND: C11044
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Entry
C11044 Compound
Name
2,2',4,4',5-Pentachlorodiphenyl ether;
1,2,4-Trichloro-5-(2,4-dichlorophenoxy)benzene
Formula
C12H5Cl5O
Exact mass
339.8783
Mol weight
342.4325
Structure
Mol file
KCF file
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CAS:
60123-64-0
PubChem:
13227
NIKKAJI:
J746.351K
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KCF data
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ATOM 18
1 C8x C 24.3600 -18.8300
2 C8y C 24.3600 -20.2300
3 C8x C 25.6200 -20.9300
4 C8x C 26.8100 -20.2300
5 C8y C 26.8100 -18.8300
6 C8y C 25.6200 -18.1300
7 O2a O 28.0700 -18.1300
8 C8y C 29.2600 -18.8300
9 C8x C 29.2600 -20.2300
10 C8y C 30.4500 -20.9300
11 C8y C 31.6400 -20.2300
12 C8x C 31.6400 -18.8300
13 C8y C 30.4500 -18.1300
14 X Cl 25.6200 -16.7300
15 X Cl 23.1700 -20.9300
16 X Cl 30.4500 -16.7300
17 X Cl 30.4500 -22.3300
18 X Cl 32.9000 -20.9300
BOND 19
1 3 4 2
2 4 5 1
3 5 6 2
4 6 1 1
5 8 9 2
6 9 10 1
7 10 11 2
8 11 12 1
9 12 13 2
10 13 8 1
11 6 14 1
12 5 7 1
13 2 15 1
14 1 2 2
15 13 16 1
16 7 8 1
17 2 3 1
18 10 17 1
19 11 18 1
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