COMPOUND: C14196
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Entry
C14196 Compound
Name
2,3,5,6-Tetrachloro-4,4'-biphenyldiol
Formula
C12H6Cl4O2
Exact mass
321.9122
Mol weight
323.9868
Structure
Mol file
KCF file
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CAS:
100702-98-5
PubChem:
7847006
ChEBI:
34223
NIKKAJI:
J776.653J
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KCF data
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ATOM 18
1 C8x C 29.8041 -19.1939
2 C8x C 28.6120 -17.0822
3 C8x C 31.0232 -18.5056
4 C8x C 29.8311 -16.3939
5 C8y C 28.5985 -18.4822
6 C8y C 31.0368 -17.1057
7 C8y C 27.3794 -19.1705
8 C8y C 24.9411 -20.5470
9 C8y C 26.1737 -18.4587
10 C8y C 27.3658 -20.5704
11 C8y C 24.9546 -19.1470
12 C8y C 26.1467 -21.2586
13 O1a O 32.2559 -16.4175
14 O1a O 23.7220 -21.2352
15 X Cl 26.1873 -17.0588
16 X Cl 28.5714 -21.2820
17 X Cl 23.7490 -18.4353
18 X Cl 26.2032 -22.6585
BOND 19
1 1 3 2
2 1 5 1
3 2 4 1
4 2 5 2
5 3 6 1
6 4 6 2
7 5 7 1
8 6 13 1
9 7 9 2
10 7 10 1
11 8 11 2
12 8 12 1
13 8 14 1
14 9 11 1
15 9 15 1
16 10 12 2
17 10 16 1
18 11 17 1
19 12 18 1
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