COMPOUND: C11570
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Entry
C11570 Compound
Name
2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-[1,3,4]oxadiazole
Formula
C13H9ClN2OS
Exact mass
276.0124
Mol weight
276.7414
Structure
Mol file
KCF file
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PubChem:
13735
ChEBI:
963
NIKKAJI:
J1.679.151B
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KCF data
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ATOM 18
1 O2x O 27.5637 -18.9495
2 C8y C 26.4252 -19.7651
3 N5x N 26.8513 -21.1004
4 N5x N 28.2531 -21.0352
5 C8y C 28.6887 -19.7730
6 C8y C 25.0966 -19.3185
7 C8x C 25.1544 -17.9186
8 C8x C 23.8659 -17.2293
9 C8x C 22.6596 -17.9398
10 C8x C 22.6720 -19.3398
11 C8y C 23.8903 -20.0291
12 C8y C 30.0245 -19.3479
13 S2x S 31.1539 -20.1760
14 C8y C 32.2900 -19.3554
15 C8x C 31.8583 -18.0216
16 C8x C 30.4568 -18.0225
17 X Cl 23.9027 -21.4290
18 C1a C 33.6207 -19.7908
BOND 20
1 7 8 1
2 8 9 2
3 9 10 1
4 10 11 2
5 11 6 1
6 2 6 1
7 13 14 1
8 2 3 2
9 1 2 1
10 3 4 1
11 4 5 2
12 12 13 1
13 14 15 2
14 15 16 1
15 16 12 2
16 5 12 1
17 5 1 1
18 11 17 1
19 6 7 2
20 14 18 1
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