COMPOUND: C14382
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Entry
C14382 Compound
Name
4-Hydroxy-2,2',3,4',5,5',6-heptachlorobiphenyl;
2,2',3,4',5,5',6-Heptachloro-4-biphenylol;
4-Hydroxy-PCB 187
Formula
C12H3Cl7O
Exact mass
407.8004
Mol weight
411.3226
Structure
Mol file
KCF file
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CAS:
158076-68-7
PubChem:
17395382
ChEBI:
34415
NIKKAJI:
J1.622.001I
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KCF data
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ATOM 20
1 C8y C 25.7811 -17.9466
2 C8y C 25.7811 -19.3477
3 C8x C 26.9945 -20.0482
4 C8y C 28.2080 -19.3477
5 C8y C 28.2080 -17.9466
6 C8x C 26.9945 -17.2462
7 C8y C 29.4398 -17.2350
8 C8y C 30.6461 -17.9313
9 C8y C 31.8592 -17.2306
10 C8y C 31.8592 -15.8295
11 C8y C 30.6533 -15.1334
12 C8y C 29.4397 -15.8340
13 O1a O 33.0868 -15.1205
14 X Cl 30.6534 -13.7637
15 X Cl 24.5710 -20.0465
16 X Cl 28.2479 -15.1453
17 X Cl 33.0643 -17.9261
18 X Cl 29.4403 -20.0596
19 X Cl 24.5816 -17.2541
20 X Cl 30.6471 -19.3501
BOND 21
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 12 16 1
18 9 17 1
19 4 18 1
20 1 19 1
21 8 20 1
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