COMPOUND: C11122
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Entry
C11122 Compound
Name
DTP;
(2,4-Dichlorophenyl)(5-hydroxy-1,3-dimethyl-1H-pyrazol-4-yl)methanone;
4-(2,4-Dichlorobenzoyl)-1,3-dimethyl-5-hydroxypyrazole
Formula
C12H10Cl2N2O2
Exact mass
284.0119
Mol weight
285.126
Structure
Mol file
KCF file
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CAS:
58010-98-3
PubChem:
13304
ChEBI:
4302
NIKKAJI:
J26.500D
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KCF data
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ATOM 18
1 C8y C 29.3126 -20.1134
2 C8y C 28.1816 -20.9337
3 N5x N 28.6077 -22.2612
4 N4y N 30.0021 -22.2637
5 C8y C 30.4406 -20.9379
6 C8y C 25.6783 -16.6198
7 C8x C 25.6783 -18.0215
8 C8x C 26.8960 -18.7188
9 C8y C 28.1067 -18.0215
10 C8y C 28.1067 -16.6198
11 C8x C 26.8960 -15.9154
12 X Cl 24.4599 -15.9154
13 X Cl 29.3126 -15.9085
14 C5a C 29.3197 -18.7117
15 O5a O 30.5312 -18.0073
16 C1a C 26.9603 -20.2259
17 C1a C 31.1290 -23.2475
18 O1a O 31.6440 -20.2259
BOND 19
1 7 8 1
2 8 9 2
3 9 10 1
4 10 11 2
5 11 6 1
6 6 12 1
7 1 2 1
8 10 13 1
9 2 3 2
10 9 14 1
11 14 1 1
12 3 4 1
13 14 15 2
14 4 5 1
15 2 16 1
16 5 1 2
17 4 17 1
18 6 7 2
19 5 18 1
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