KEGG   COMPOUND: C02803
Entry
C02803                      Compound                               
Name
4-Nitroacetophenone;
p-Nitroacetophenone
Formula
C8H7NO3
Exact mass
165.0426
Mol weight
165.1461
Structure
Other DBs
CAS: 100-19-6
PubChem: 5753
ChEBI: 28735
NIKKAJI: J803F
LinkDB
KCF data

ATOM        12
            1   C8y C    18.4100  -13.3604
            2   C5a C    18.4100  -12.0400
            3   C8x C    17.2054  -14.0587
            4   C8x C    19.6338  -14.0587
            5   C1a C    19.6146  -11.3415
            6   O5a O    17.1991  -11.3480
            7   C8x C    17.2054  -15.4685
            8   C8x C    19.6338  -15.4685
            9   C8y C    18.4100  -16.1796
            10  N2b N    18.4100  -17.5763 #+
            11  O3a O    19.7481  -18.5548
            12  O3a O    17.1225  -18.5548 #-
BOND        12
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     4   8 2
            8     7   9 2
            9     9  10 1
            10   10  11 2
            11   10  12 1
            12    8   9 1

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