KEGG   COMPOUND: C19271
Entry
C19271                      Compound                               
Name
6-Nitrochrysene
Formula
C18H11NO2
Exact mass
273.079
Mol weight
273.2854
Structure
Other DBs
CAS: 7496-02-8
PubChem: 124489943
ChEBI: 82351
KCF data

ATOM        21
            1   C8x C    16.6600  -19.8100
            2   C8x C    16.6600  -21.2100
            3   C8x C    17.8724  -21.9100
            4   C8y C    19.0849  -21.2100
            5   C8y C    19.0849  -19.8100
            6   C8x C    17.8724  -19.1100
            7   C8x C    20.2973  -21.9100
            8   C8x C    21.5097  -21.2100
            9   C8y C    21.5097  -19.8100
            10  C8y C    20.2973  -19.1100
            11  C8y C    22.7222  -19.1100
            12  C8y C    22.7222  -17.7100
            13  C8y C    21.5097  -17.0100
            14  C8x C    20.2973  -17.7100
            15  C8x C    23.9346  -19.8100
            16  C8x C    25.1470  -19.1100
            17  C8x C    25.1470  -17.7100
            18  C8x C    23.9346  -17.0100
            19  N2b N    21.5097  -15.6101 #+
            20  O3a O    20.2825  -14.9015
            21  O3a O    22.9174  -14.9186 #-
BOND        24
            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    9  11 1
            13   11  12 2
            14   12  13 1
            15   13  14 2
            16   10  14 1
            17   11  15 1
            18   15  16 2
            19   16  17 1
            20   17  18 2
            21   12  18 1
            22   13  19 1
            23   19  20 2
            24   19  21 1

» Japanese version

  All links  
Chemical substance (3)   
   PubChem (1)   
   ChEBI (1)   
   HSDB (1)   
All databases (3)   

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