| | DRUG: Diflubenzuron | |
Entry |
|
Name |
Diflubenzuron |
Formula |
C14H9ClF2N2O2
|
Exact mass |
310.0321
|
Mol weight |
310.6833
|
Structure |
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Simcomp |
|
Remark |
|
Efficacy |
Insecticide (veterinary), Chitin synthesis inhibitor |
Comment |
Benzoyl phenylurea derivative
veterinary medicine
|
Other DBs |
|
KCF data |
ATOM 21
1 C8x C 12.5300 -17.9200
2 C8x C 22.2600 -16.5200
3 C8x C 21.0700 -14.4200
4 C8x C 13.7900 -18.6200
5 C8x C 12.5300 -16.5200
6 C8x C 23.4500 -15.8200
7 C8x C 22.2600 -13.7200
8 C8y C 14.9800 -16.5200
9 C8y C 21.0700 -15.8200
10 C8y C 14.9800 -17.9200
11 C8y C 13.7900 -15.8200
12 C8y C 23.4500 -14.4200
13 C5a C 16.1700 -15.8200
14 C5a C 18.6200 -15.8200
15 N1b N 19.8100 -16.5200
16 N1b N 17.4300 -16.5200
17 O5a O 16.1700 -14.4200
18 O5a O 18.6200 -14.4200
19 X F 16.1700 -18.6200
20 X F 13.7900 -14.4200
21 X Cl 24.7100 -13.7200
BOND 22
1 1 4 2
2 1 5 1
3 2 6 2
4 2 9 1
5 3 7 1
6 3 9 2
7 4 10 1
8 5 11 2
9 6 12 1
10 7 12 2
11 8 10 2
12 8 11 1
13 8 13 1
14 9 15 1
15 10 19 1
16 11 20 1
17 12 21 1
18 13 16 1
19 13 17 2
20 14 15 1
21 14 16 1
22 14 18 2
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