COMPOUND: C14726
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Entry
C14726 Compound
Name
2,2',3,3',4',5,5'-Heptachloro-4-biphenylol
Formula
C12H3Cl7O
Exact mass
407.8004
Mol weight
411.3226
Structure
Mol file
KCF file
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CAS:
158076-64-3
PubChem:
17395725
ChEBI:
34194
NIKKAJI:
J1.807.344G
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KCF data
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ATOM 20
1 C8x C 27.1179 -20.2849
2 C8y C 25.8561 -18.2129
3 C8y C 28.3142 -19.5564
4 C8y C 27.0523 -17.4844
5 C8y C 22.2303 -21.7988
6 C8y C 22.2674 -20.3986
7 C8y C 24.7255 -21.7420
8 C8y C 25.8189 -19.6132
9 C8y C 28.2813 -18.1562
10 C8y C 23.5292 -22.4705
11 C8x C 23.4636 -19.6700
12 C8y C 24.6928 -20.3418
13 O1a O 29.4776 -17.4277
14 X Cl 25.9377 -22.4041
15 X Cl 21.0323 -19.7237
16 X Cl 21.1390 -22.5058
17 X Cl 23.4919 -23.8694
18 X Cl 24.6197 -17.4964
19 X Cl 27.0196 -16.1000
20 X Cl 29.5053 -20.2071
BOND 21
1 1 3 2
2 1 8 1
3 2 4 1
4 2 8 2
5 3 9 1
6 4 9 2
7 5 6 2
8 5 10 1
9 6 11 1
10 7 10 2
11 7 12 1
12 8 12 1
13 9 13 1
14 11 12 2
15 7 14 1
16 6 15 1
17 5 16 1
18 10 17 1
19 2 18 1
20 4 19 1
21 3 20 1
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