KEGG   COMPOUND: C14702
Entry
C14702                      Compound                               
Name
1,2-Dinitrobenzene;
o-Dinitrobenzene
Formula
C6H4N2O4
Exact mass
168.0171
Mol weight
168.107
Structure
Other DBs
CAS: 528-29-0
PubChem: 17395701
ChEBI: 34053
NIKKAJI: J1.209B
LinkDB
KCF data

ATOM        12
            1   C8x C    19.5300  -17.5000
            2   C8x C    19.5300  -18.9000
            3   C8x C    20.7424  -19.6000
            4   C8y C    21.9549  -18.9000
            5   C8y C    21.9549  -17.5000
            6   C8x C    20.7424  -16.8000
            7   N2b N    23.1860  -16.7890 #+
            8   N2b N    23.1860  -19.6110 #+
            9   O3a O    24.3912  -17.4847 #-
            10  O3a O    23.1857  -15.4001
            11  O3a O    24.3912  -18.9153 #-
            12  O3a O    23.1857  -20.9999
BOND        12
            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     4   8 1
            9     7   9 1
            10    7  10 2
            11    8  11 1
            12    8  12 2

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