COMPOUND: C14471
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Entry
C14471 Compound
Name
4-Hydroxy-2,2',4',5,5'-pentachlorobiphenyl;
2,2',4',5,5'-Pentachloro-4-biphenylol
Formula
C12H5Cl5O
Exact mass
339.8783
Mol weight
342.4325
Structure
Mol file
KCF file
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Other DBs
CAS:
59512-50-4
PubChem:
17395471
ChEBI:
34416
NIKKAJI:
J440.265K
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KCF data
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ATOM 18
1 C8y C 25.7740 -17.3096
2 C8y C 25.7740 -18.7101
3 C8x C 26.9869 -19.4104
4 C8y C 28.2000 -18.7101
5 C8y C 28.2000 -17.3096
6 C8x C 26.9869 -16.6094
7 C8y C 29.4313 -16.5982
8 C8x C 30.6372 -17.2943
9 C8y C 31.8498 -16.5938
10 C8y C 31.8498 -15.1932
11 C8x C 30.6444 -14.4974
12 C8y C 29.4312 -15.1977
13 O1a O 33.0770 -14.4845
14 X Cl 24.5643 -19.4087
15 X Cl 28.2398 -14.5093
16 X Cl 33.0545 -17.2891
17 X Cl 29.4318 -19.4218
18 X Cl 24.5749 -16.6173
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 2 14 1
16 12 15 1
17 9 16 1
18 4 17 1
19 1 18 1
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