COMPOUND: C14737
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Entry
C14737 Compound
Name
4,3',5'-Trichloro-4'-biphenol;
3,4',5-Trichloro-4-biphenylol
Formula
C12H7Cl3O
Exact mass
271.9562
Mol weight
273.5424
Structure
Mol file
KCF file
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Other DBs
CAS:
4400-06-0
PubChem:
17395735
ChEBI:
34362
NIKKAJI:
J146.425F
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KCF data
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ATOM 16
1 C8y C 22.1536 -20.3405
2 C8y C 22.1536 -21.7375
3 C8y C 23.3633 -22.4359
4 C8x C 24.5732 -21.7375
5 C8y C 24.5732 -20.3405
6 C8x C 23.3633 -19.6422
7 C8y C 25.8015 -19.6311
8 C8x C 27.0041 -20.3253
9 C8x C 28.2137 -19.6267
10 C8y C 28.2137 -18.2298
11 C8x C 27.0112 -17.5357
12 C8x C 25.8014 -18.2342
13 O1a O 20.9478 -22.4337
14 X Cl 29.4376 -17.5229
15 X Cl 23.3629 -23.8699
16 X Cl 20.9295 -19.6333
BOND 17
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 2 13 1
15 10 14 1
16 3 15 1
17 1 16 1
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