KEGG   COMPOUND: C19597
Entry
C19597                      Compound                               
Name
2-Nitrotoluene
Formula
C7H7NO2
Exact mass
137.0477
Mol weight
137.136
Structure
Other DBs
CAS: 88-72-2
PubChem: 124490268
ChEBI: 33098
KCF data

ATOM        10
            1   C8x C    14.6300  -17.9900
            2   C8x C    14.6300  -19.3900
            3   C8x C    15.8424  -20.0900
            4   C8x C    17.0549  -19.3900
            5   C8y C    17.0549  -17.9900
            6   C8y C    15.8424  -17.2900
            7   C1a C    15.8424  -15.8902
            8   N2b N    18.2860  -17.2790 #+
            9   O3a O    19.4912  -17.9747
            10  O3a O    18.2857  -15.8901 #-
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     6   7 1
            8     5   8 1
            9     8   9 2
            10    8  10 1

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

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