COMPOUND: C11123
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Entry
C11123 Compound
Name
Pyrazolate;
4-(2,4-Dichlorobenzoyl)-1,3-dimethyl-5-pyrazolyl p-toluenesulfonate
Formula
C19H16Cl2N2O4S
Exact mass
438.0208
Mol weight
439.3123
Structure
Mol file
KCF file
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Brite
Pesticides [BR:
br08007
]
Pesticides
Herbicides
Pyrazole herbicides
C11123 Pyrazolate
BRITE hierarchy
Other DBs
CAS:
58011-68-0
PubChem:
13305
ChEBI:
8657
NIKKAJI:
J1.089H
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KCF data
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ATOM 28
1 C8y C 31.8846 -17.5174
2 C8x C 33.0952 -18.2214
3 C8x C 34.3076 -17.5203
4 C8y C 34.3093 -16.1225
5 C8x C 33.0986 -15.4257
6 C8x C 31.8163 -16.1197
7 N4y N 27.8244 -19.5536
8 C8y C 28.2582 -18.2219
9 C8y C 27.1276 -17.3926
10 C8y C 25.9901 -18.2219
11 N5x N 26.4238 -19.5536
12 C8y C 23.5081 -13.8995
13 C8x C 23.5081 -15.3002
14 C8x C 24.7251 -15.9970
15 C8y C 25.9351 -15.3002
16 C8y C 25.9351 -13.8995
17 C8x C 24.7251 -13.1956
18 X Cl 22.2905 -13.1956
19 X Cl 27.1402 -13.1885
20 C5a C 27.1402 -15.9970
21 O2a O 29.4631 -17.5174
22 S4a S 30.6738 -18.2214
23 O5a O 28.3439 -15.2932
24 C1a C 24.7682 -17.5174
25 O3c O 29.6743 -19.2068
26 O3c O 31.6663 -19.2068
27 C1a C 35.5167 -15.4128
28 C1a C 28.5199 -20.7625
BOND 30
1 3 4 1
2 12 13 2
3 13 14 1
4 14 15 2
5 15 16 1
6 16 17 2
7 17 12 1
8 4 5 2
9 12 18 1
10 7 8 1
11 16 19 1
12 8 9 2
13 15 20 1
14 20 9 1
15 9 10 1
16 8 21 1
17 10 11 2
18 21 22 1
19 22 1 1
20 11 7 1
21 20 23 2
22 5 6 1
23 10 24 1
24 6 1 2
25 22 25 2
26 22 26 2
27 1 2 1
28 4 27 1
29 2 3 2
30 7 28 1
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