KEGG   COMPOUND: C19474
Entry
C19474                      Compound                               
Name
2-Nitronaphthalene
Formula
C10H7NO2
Exact mass
173.0477
Mol weight
173.1681
Structure
Other DBs
CAS: 581-89-5
PubChem: 124490146
ChEBI: 50637
KCF data

ATOM        13
            1   C8y C    19.0400  -16.4500
            2   C8x C    19.0400  -17.8500
            3   C8x C    20.2524  -18.5500
            4   C8y C    21.4649  -17.8500
            5   C8y C    21.4649  -16.4500
            6   C8x C    20.2524  -15.7500
            7   C8x C    22.6773  -18.5500
            8   C8x C    23.8897  -17.8500
            9   C8x C    23.8897  -16.4500
            10  C8x C    22.6773  -15.7500
            11  N2b N    17.8276  -15.7500 #+
            12  O3a O    16.6321  -16.4404
            13  O3a O    17.8275  -14.3502 #-
BOND        14
            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     4   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12    1  11 1
            13   11  12 2
            14   11  13 1

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Chemical substance (2)   
   PubChem (1)   
   ChEBI (1)   
All databases (2)   

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