COMPOUND: C04798
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Entry
C04798 Compound
Name
5-Amino-4-chloro-2-(2,3-dihydroxyphenyl)-3(2H)-pyridazinone;
Chloridazon catechol;
5-Amino-4-chloro-2-(2',3'-dihydroxyphenyl)-3(2H)-pyridazinone
Formula
C10H8ClN3O3
Exact mass
253.0254
Mol weight
253.64
Structure
Mol file
KCF file
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Reaction
R04602
Enzyme
1.13.11.36
Other DBs
PubChem:
7360
ChEBI:
17147
NIKKAJI:
J2.753.649B
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KCF data
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ATOM 17
1 N4y N 28.5569 -15.9010
2 C8y C 29.7701 -16.5942
3 C8y C 28.5569 -14.4890
4 N5x N 27.3376 -16.6135
5 C8y C 29.7764 -17.9933
6 C8x C 30.9703 -15.9010
7 C8y C 27.3376 -13.7894
8 O5x O 29.7636 -13.7894
9 C8x C 26.1243 -15.9010
10 C8y C 30.9766 -18.6995
11 O1a O 28.5634 -18.6930
12 C8x C 32.1833 -16.5879
13 C8y C 26.1243 -14.4890
14 X Cl 27.4010 -12.3965
15 C8x C 32.1898 -17.9870
16 O1a O 30.9831 -20.0922
17 N1a N 24.9178 -13.7894
BOND 18
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 2
6 3 7 1
7 3 8 2
8 4 9 2
9 5 10 2
10 5 11 1
11 6 12 1
12 7 13 2
13 7 14 1
14 10 15 1
15 10 16 1
16 13 17 1
17 9 13 1
18 12 15 2
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