COMPOUND: C20687
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Entry
C20687 Compound
Name
(S)-(2,4-Dichlorophenoxy)propanoate;
(S)-Dichlorprop
Formula
C9H8Cl2O3
Exact mass
233.9851
Mol weight
235.064
Structure
Mol file
KCF file
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Reaction
R10487
Enzyme
1.14.11.43
Other DBs
PubChem:
172232407
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KCF data
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ATOM 14
1 C1c C 20.5184 -16.1926
2 C6a C 21.7036 -15.5082
3 O6a O 22.9005 -16.1992
4 O6a O 21.7035 -14.1030
5 C8x C 15.6453 -16.2080
6 C8y C 15.6453 -17.6114
7 C8x C 16.8607 -18.3131
8 C8x C 18.0761 -17.6114
9 C8y C 18.0761 -16.2080
10 C8y C 16.8607 -15.5063
11 X Cl 16.8607 -14.1028
12 X Cl 14.4300 -18.3131
13 O2a O 19.3103 -15.4953
14 C1a C 20.5185 -17.5700
BOND 14
1 2 3 1
2 2 4 2
3 1 2 1
4 5 6 2
5 6 7 1
6 7 8 2
7 8 9 1
8 9 10 2
9 5 10 1
10 10 11 1
11 6 12 1
12 9 13 1
13 1 13 1
14 1 14 1 #Down
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