COMPOUND: C14713
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Entry
C14713 Compound
Name
2,4-Dinitroaniline;
1-Amino-2,4-dinitrobenzene
Formula
C6H5N3O4
Exact mass
183.028
Mol weight
183.1216
Structure
Mol file
KCF file
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CAS:
97-02-9
PubChem:
17395712
ChEBI:
34242
NIKKAJI:
J3.975F
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KCF data
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ATOM 13
1 C8x C 14.4900 -15.8900
2 C8x C 14.4900 -17.2900
3 C8y C 15.7024 -17.9900
4 C8x C 16.9149 -17.2900
5 C8y C 16.9149 -15.8900
6 C8y C 15.7024 -15.1900
7 N1a N 15.7024 -13.7902
8 N2b N 18.1460 -15.1790 #+
9 N2b N 15.7024 -19.3898 #+
10 O3a O 14.4732 -20.0997 #-
11 O3a O 16.8980 -20.0802
12 O3a O 19.3512 -15.8747
13 O3a O 18.1457 -13.7901 #-
BOND 13
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 6 7 1
8 5 8 1
9 3 9 1
10 9 10 1
11 9 11 2
12 8 12 2
13 8 13 1
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