COMPOUND: C15213
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Entry
C15213 Compound
Name
2,2',3',4,4',5,5'-Heptachloro-3-biphenylol
Formula
C12H3Cl7O
Exact mass
407.8004
Mol weight
411.3226
Structure
Mol file
KCF file
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Other DBs
PubChem:
17396210
ChEBI:
79726
NIKKAJI:
J1.880.701G
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KCF data
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ATOM 20
1 C8y C 23.4526 -20.3663
2 C8y C 23.4526 -21.7659
3 C8y C 24.6646 -22.4656
4 C8y C 25.8769 -21.7659
5 C8y C 25.8769 -20.3663
6 C8x C 24.6646 -19.6664
7 C8y C 27.1076 -19.6554
8 C8x C 28.3125 -20.3509
9 C8y C 29.5245 -19.6510
10 C8y C 29.5245 -18.2514
11 C8y C 28.3196 -17.5558
12 C8y C 27.1075 -18.2557
13 X Cl 30.7559 -20.3616
14 X Cl 27.1076 -22.4767
15 X Cl 22.2405 -22.4656
16 X Cl 25.8940 -17.5551
17 X Cl 22.2730 -19.6857
18 O1a O 28.3199 -16.1703
19 X Cl 30.7403 -17.5493
20 X Cl 24.6646 -23.8698
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 2
9 8 9 1
10 9 10 2
11 10 11 1
12 11 12 2
13 7 12 1
14 9 13 1
15 4 14 1
16 2 15 1
17 12 16 1
18 1 17 1
19 11 18 1
20 10 19 1
21 3 20 1
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