KEGG   COMPOUND: C14713
Entry
C14713                      Compound                               
Name
2,4-Dinitroaniline;
1-Amino-2,4-dinitrobenzene
Formula
C6H5N3O4
Exact mass
183.028
Mol weight
183.1216
Structure
Other DBs
CAS: 97-02-9
PubChem: 17395712
ChEBI: 34242
NIKKAJI: J3.975F
LinkDB
KCF data

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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