COMPOUND: C14389
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Entry
C14389 Compound
Name
1,1,1-Trichloro-2-(4-hydroxyphenyl)-2-(4-methoxyphenyl)ethane;
Monohydroxymethoxychlor
Formula
C15H13Cl3O2
Exact mass
329.9981
Mol weight
331.62
Structure
Mol file
KCF file
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CAS:
28463-03-8
PubChem:
17395389
ChEBI:
34026
NIKKAJI:
J659.443C
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KCF data
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ATOM 20
1 C8y C 29.8649 -19.9159
2 C1c C 28.6533 -19.2135
3 C8x C 29.8649 -21.3145
4 C8x C 31.0821 -19.2135
5 C8y C 27.4419 -19.9099
6 C1d C 28.6533 -17.8089
7 C8x C 31.0821 -22.0109
8 C8x C 32.2879 -19.9159
9 C8x C 27.4419 -21.3088
10 C8x C 26.2304 -19.2135
11 C8y C 32.2879 -21.3145
12 C8x C 26.2304 -22.0109
13 C8x C 25.0189 -19.9099
14 C8y C 25.0189 -21.3088
15 O2a O 23.8178 -22.0015
16 O1a O 33.4892 -22.0084
17 C1a C 22.5740 -21.2830
18 X Cl 29.8603 -17.1119
19 X Cl 27.4107 -17.0920
20 X Cl 28.6535 -16.3802
BOND 21
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 2 6 1
6 3 7 2
7 4 8 1
8 5 9 1
9 5 10 2
10 7 11 1
11 9 12 2
12 10 13 1
13 12 14 1
14 8 11 2
15 13 14 2
16 14 15 1
17 11 16 1
18 15 17 1
19 6 18 1
20 6 19 1
21 6 20 1
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