COMPOUND: C11561
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Entry
C11561 Compound
Name
2-(4-Chloro-3,5-dimethylphenoxy)-N-(2-phenyl-2H-benzotriazol-5-yl)-acetamide
Formula
C22H19ClN4O2
Exact mass
406.1197
Mol weight
406.8649
Structure
Mol file
KCF file
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Other DBs
PubChem:
13726
ChEBI:
968
NIKKAJI:
J1.679.142C
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KCF data
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ATOM 29
1 C8y C 22.9873 -19.5609
2 C8x C 21.7781 -20.2619
3 C8x C 24.2024 -20.2619
4 O2a O 22.9932 -18.1589
5 C8y C 21.7781 -21.6639
6 C8y C 24.2024 -21.6639
7 C1b C 24.2082 -17.4521
8 C8y C 22.9873 -22.3708
9 C5a C 24.2082 -16.0501
10 X Cl 22.9932 -23.7785
11 N1b N 25.4291 -15.3491
12 O5a O 22.9932 -15.3491
13 C1a C 20.5658 -22.3594
14 C1a C 25.4138 -22.3608
15 C8y C 26.6376 -16.0508
16 C8x C 26.7025 -17.4421
17 C8x C 27.8412 -18.1438
18 C8x C 27.8478 -15.3486
19 C8y C 29.0591 -17.4453
20 N5x N 30.3887 -17.8812
21 N4y N 31.2841 -16.7513
22 C8y C 29.0628 -16.0460
23 N5x N 30.3879 -15.6137
24 C8y C 32.6117 -16.7533
25 C8x C 33.3037 -17.9646
26 C8x C 34.7013 -17.9664
27 C8x C 35.4016 -16.7570
28 C8x C 34.7045 -15.5458
29 C8x C 33.3069 -15.5439
BOND 32
1 1 3 2
2 11 15 1
3 1 4 1
4 2 5 2
5 3 6 1
6 15 16 1
7 16 17 2
8 17 19 1
9 22 18 1
10 18 15 2
11 4 7 1
12 5 8 1
13 7 9 1
14 22 19 1
15 19 20 2
16 20 21 1
17 21 23 1
18 8 10 1
19 9 11 1
20 22 23 2
21 9 12 2
22 21 24 1
23 6 8 2
24 5 13 1
25 1 2 1
26 6 14 1
27 24 25 2
28 25 26 1
29 26 27 2
30 27 28 1
31 28 29 2
32 29 24 1
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