KEGG   COMPOUND: C19364
Entry
C19364                      Compound                               
Name
1-Chloro-3-nitrobenzene
Formula
C6H4ClNO2
Exact mass
156.9931
Mol weight
157.5545
Structure
Other DBs
CAS: 121-73-3
PubChem: 124490036
ChEBI: 82420
KCF data

ATOM        10
            1   C8y C    27.8322  -16.7233
            2   C8x C    27.8322  -18.0987
            3   C8x C    29.0233  -18.7864
            4   C8x C    30.2145  -18.0987
            5   C8y C    30.2145  -16.7233
            6   C8x C    29.0233  -16.0356
            7   X   Cl   31.4239  -16.0248
            8   N2b N    26.6411  -16.0356 #+
            9   O3a O    25.1916  -16.7138 #-
            10  O3a O    26.6410  -14.6604
BOND        10
            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     1   8 1
            9     8   9 1
            10    8  10 2

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

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