COMPOUND: C14528
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Entry
C14528 Compound
Name
Tetrachlorobisphenol A;
3,3',5,5'-Tetrachlorobisphenol A;
Tetrachlorodian;
2,2-Bis(4-hydroxy-3,5-dichlorophenyl)propane
Formula
C15H12Cl4O2
Exact mass
363.9591
Mol weight
366.0666
Structure
Mol file
KCF file
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Other DBs
CAS:
79-95-8
PubChem:
17395528
ChEBI:
35004
PDB-CCD:
XDH
[
PDBj
]
NIKKAJI:
J53.760H
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KCF data
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ATOM 21
1 C8y C 19.8347 -16.6907
2 C8y C 19.8347 -18.0665
3 C8y C 21.0041 -18.7544
4 C8x C 22.1736 -18.0665
5 C8y C 22.1736 -16.6907
6 C8x C 21.0041 -16.0028
7 O1a O 18.5964 -18.6857
8 C1d C 23.4118 -16.0028
9 C8y C 24.5812 -16.6907
10 C1a C 22.1736 -15.3149
11 C1a C 24.5812 -15.3149
12 C8x C 24.5812 -18.0665
13 C8y C 25.7507 -18.7544
14 C8y C 26.9889 -18.0665
15 C8y C 26.9889 -16.6907
16 C8x C 25.7507 -16.0028
17 O1a O 28.1583 -18.7544
18 X Cl 18.5874 -15.9778
19 X Cl 21.0041 -20.1600
20 X Cl 25.7333 -20.1597
21 X Cl 28.2322 -15.9596
BOND 22
1 2 3 1
2 8 9 1
3 3 4 2
4 8 10 1
5 4 5 1
6 8 11 1
7 5 6 2
8 6 1 1
9 2 7 1
10 1 2 2
11 9 12 2
12 12 13 1
13 13 14 2
14 14 15 1
15 15 16 2
16 16 9 1
17 5 8 1
18 14 17 1
19 1 18 1
20 3 19 1
21 13 20 1
22 15 21 1
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