COMPOUND: C14136
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Entry
C14136 Compound
Name
1,1,1-Trichloro-2,2-bis(4-hydroxyphenyl)ethane;
HPTE;
p,p'-Hydroxy-DDT
Formula
C14H11Cl3O2
Exact mass
315.9825
Mol weight
317.5949
Structure
Mol file
KCF file
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Other DBs
CAS:
2971-36-0
PubChem:
7846950
ChEBI:
34025
PDB-CCD:
27N
[
PDBj
]
NIKKAJI:
J42.984H
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KCF data
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ATOM 19
1 C8y C 26.1617 -17.1209
2 C1c C 24.9498 -16.4183
3 C8x C 26.1617 -18.5199
4 C8x C 27.3792 -16.4183
5 C8y C 23.7380 -17.1149
6 C8x C 27.3792 -19.2165
7 C8x C 28.5853 -17.1209
8 C8x C 23.7380 -18.5142
9 C8x C 22.5262 -16.4183
10 C8y C 28.5853 -18.5199
11 C8x C 22.5262 -19.2165
12 C8x C 21.3144 -17.1149
13 O1a O 29.8030 -19.2165
14 C8y C 21.3144 -18.5142
15 O1a O 20.1024 -19.2165
16 C1d C 24.9498 -15.0183
17 X Cl 24.9498 -13.6183
18 X Cl 23.5204 -15.0176
19 X Cl 26.3197 -15.0190
BOND 20
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 3 6 2
6 4 7 1
7 5 8 1
8 5 9 2
9 6 10 1
10 8 11 2
11 9 12 1
12 10 13 1
13 11 14 1
14 14 15 1
15 7 10 2
16 12 14 2
17 2 16 1
18 16 17 1
19 16 18 1
20 16 19 1
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