COMPOUND: C14589
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Entry
C14589 Compound
Name
1,2-Bis(4-nitrophenyl)ethane;
4,4'-Dinitrodibenzyl
Formula
C14H12N2O4
Exact mass
272.0797
Mol weight
272.2561
Structure
Mol file
KCF file
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Other DBs
CAS:
736-30-1
PubChem:
17395589
ChEBI:
34040
NIKKAJI:
J193.106G
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KCF data
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ATOM 20
1 C8x C 8.4700 -17.1500
2 C8y C 8.4700 -18.5500
3 C8x C 9.6824 -19.2500
4 C8x C 10.8949 -18.5500
5 C8y C 10.8949 -17.1500
6 C8x C 9.6824 -16.4500
7 C1b C 12.1260 -16.4390
8 C1b C 13.3312 -17.1347
9 C8y C 14.5135 -16.4519
10 C8x C 15.7075 -17.1412
11 C8x C 16.9199 -16.4412
12 C8y C 16.9199 -15.0412
13 C8x C 15.7260 -14.3519
14 C8x C 14.5135 -15.0519
15 N2b N 7.2576 -19.2500 #+
16 N2b N 18.1434 -14.3346 #+
17 O3a O 6.0621 -18.5596 #-
18 O3a O 7.2575 -20.6498
19 O3a O 19.3524 -15.0325 #-
20 O3a O 18.1432 -12.9501
BOND 21
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 5 7 1
8 7 8 1
9 8 9 1
10 9 10 2
11 10 11 1
12 11 12 2
13 12 13 1
14 13 14 2
15 9 14 1
16 2 15 1
17 12 16 1
18 15 17 1
19 15 18 2
20 16 19 1
21 16 20 2
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