COMPOUND: C14381
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Entry
C14381 Compound
Name
4-Hydroxy-2,3,3',4',5-pentachlorobiphenyl;
2,3,3',4',5-Pentachloro-4-biphenylol
Formula
C12H5Cl5O
Exact mass
339.8783
Mol weight
342.4325
Structure
Mol file
KCF file
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CAS:
152969-11-4
PubChem:
17395381
ChEBI:
34418
NIKKAJI:
J917.029D
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KCF data
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ATOM 18
1 C8x C 25.8198 -17.2833
2 C8y C 25.8198 -18.6872
3 C8y C 27.0356 -19.3891
4 C8x C 28.2515 -18.6872
5 C8y C 28.2515 -17.2833
6 C8x C 27.0356 -16.5815
7 C8y C 29.4858 -16.5703
8 C8x C 30.6945 -17.2680
9 C8y C 31.9100 -16.5659
10 C8y C 31.9100 -15.1620
11 C8y C 30.7017 -14.4645
12 C8y C 29.4857 -15.1665
13 O1a O 33.1400 -14.4516
14 X Cl 30.7018 -13.0920
15 X Cl 24.6072 -19.3874
16 X Cl 27.0360 -20.7675
17 X Cl 28.2915 -14.4764
18 X Cl 33.1175 -17.2628
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 2
9 8 9 1
10 9 10 2
11 10 11 1
12 11 12 2
13 7 12 1
14 10 13 1
15 11 14 1
16 2 15 1
17 3 16 1
18 12 17 1
19 9 18 1
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