COMPOUND: C14194
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Entry
C14194 Compound
Name
3,3',5,5'-Tetrachloro-4,4'-biphenyldiol
Formula
C12H6Cl4O2
Exact mass
321.9122
Mol weight
323.9868
Structure
Mol file
KCF file
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Other DBs
CAS:
13049-13-3
PubChem:
7847004
ChEBI:
35434
PDB-CCD:
PCQ
[
PDBj
]
NIKKAJI:
J530.167J
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KCF data
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ATOM 18
1 C8x C 28.3124 -18.6954
2 C8x C 27.0715 -16.6121
3 C8x C 29.4770 -15.1793
4 C8x C 30.7179 -17.2627
5 C8y C 28.2934 -17.2957
6 C8y C 29.4961 -16.5793
7 C8y C 27.1096 -19.4118
8 C8y C 25.8687 -17.3285
9 C8y C 30.6799 -14.4629
10 C8y C 31.9207 -16.5463
11 C8y C 25.8878 -18.7284
12 C8y C 31.9017 -15.1464
13 O1a O 24.6851 -19.4448
14 O1a O 33.1044 -14.4300
15 X Cl 27.0586 -20.8115
16 X Cl 24.6470 -16.6451
17 X Cl 30.6608 -13.0632
18 X Cl 33.1425 -17.2297
BOND 19
1 1 5 2
2 1 7 1
3 2 5 1
4 2 8 2
5 3 6 2
6 3 9 1
7 4 6 1
8 4 10 2
9 5 6 1
10 7 11 2
11 7 15 1
12 8 11 1
13 8 16 1
14 9 12 2
15 9 17 1
16 10 12 1
17 10 18 1
18 11 13 1
19 12 14 1
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