COMPOUND: C15297
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Entry
C15297 Compound
Name
2,4-Dinitro-1-(3-nitrophenoxy)benzene;
2,4-Dinitro-3'-nitrodiphenyl ether
Formula
C12H7N3O7
Exact mass
305.0284
Mol weight
305.1999
Structure
Mol file
KCF file
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Other DBs
PubChem:
17396294
ChEBI:
79799
NIKKAJI:
J2.793.723C
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KCF data
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ATOM 22
1 C8x C 13.4400 -17.2200
2 C8y C 13.4400 -18.6200
3 C8x C 14.6524 -19.3200
4 C8x C 15.8649 -18.6200
5 C8y C 15.8649 -17.2200
6 C8y C 14.6524 -16.5200
7 O2a O 17.0960 -16.5090
8 C8y C 18.3012 -17.2047
9 C8x C 18.3016 -18.6196
10 C8x C 19.5142 -19.3193
11 C8x C 20.7265 -18.6189
12 C8y C 20.7260 -17.2039
13 C8x C 19.5134 -16.5043
14 N2b N 21.9268 -16.5103 #+
15 O3a O 23.1308 -17.2052 #-
16 O3a O 21.9264 -15.1201
17 N2b N 14.6524 -15.1202 #+
18 N2b N 12.2276 -19.3200 #+
19 O3a O 13.4232 -14.4103
20 O3a O 15.8480 -14.4298 #-
21 O3a O 11.0321 -18.6296 #-
22 O3a O 12.2275 -20.7198
BOND 23
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 2
10 9 10 1
11 10 11 2
12 11 12 1
13 12 13 2
14 8 13 1
15 12 14 1
16 14 15 1
17 14 16 2
18 6 17 1
19 2 18 1
20 17 19 2
21 17 20 1
22 18 21 1
23 18 22 2
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