COMPOUND: C11569
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Entry
C11569 Compound
Name
2,2'-(1-Phenyl-1H-1,2,4-triazole-3,5-diyl)bis-phenol
Formula
C20H15N3O2
Exact mass
329.1164
Mol weight
329.352
Structure
Mol file
KCF file
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Other DBs
PubChem:
13734
ChEBI:
855
NIKKAJI:
J1.679.150D
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KCF data
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ATOM 25
1 N4y N 28.7488 -18.7779
2 C8y C 27.6085 -19.5968
3 N5x N 28.0326 -20.9331
4 C8y C 29.4352 -20.9379
5 N5x N 29.8688 -19.6046
6 C8y C 28.7493 -17.3811
7 C8x C 29.9597 -16.6904
8 C8x C 29.9667 -15.2899
9 C8x C 28.7635 -14.5799
10 C8x C 27.4760 -15.2775
11 C8x C 27.5390 -16.6782
12 C8y C 26.3530 -19.1654
13 C8x C 26.3044 -17.7652
14 C8x C 25.1022 -17.0428
15 C8x C 23.8771 -17.7277
16 C8x C 23.8559 -19.1280
17 C8y C 25.0595 -19.8434
18 C8y C 30.2542 -22.0717
19 C8x C 29.5636 -23.2929
20 C8x C 30.2806 -24.4994
21 C8x C 31.6817 -24.4770
22 C8x C 32.3647 -23.2622
23 C8y C 31.6548 -22.0563
24 O1a O 32.3383 -20.8347
25 O1a O 25.0381 -21.2437
BOND 28
1 2 3 2
2 1 2 1
3 3 4 1
4 4 5 2
5 5 1 1
6 12 13 2
7 13 14 1
8 14 15 2
9 15 16 1
10 16 17 2
11 17 12 1
12 2 12 1
13 6 7 2
14 7 8 1
15 8 9 2
16 9 10 1
17 10 11 2
18 11 6 1
19 18 19 2
20 19 20 1
21 20 21 2
22 21 22 1
23 22 23 2
24 23 18 1
25 4 18 1
26 1 6 1
27 23 24 1
28 17 25 1
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