KEGG   COMPOUND: C11008Help
Entry
C11008                      Compound                               
Name
2,6-Dinitrotoluene;
2,6-DNT
Formula
C7H6N2O4
Exact mass
182.0328
Mol weight
182.1335
Structure
Mol fileKCF fileDB searchJmolKegDraw
Brite
Carcinogens [BR:br08008]
 Group 2B: Possibly carcinogenic to humans
  Compounds
   C11008  2,6-Dinitrotoluene
BRITE hierarchy
Other DBs
CAS: 
606-20-2
PubChem: 
ChEBI: 
NIKKAJI: 
KCF data Show

ATOM        13
            1   C8y C    27.6387  -16.9209
            2   C8x C    27.6387  -18.3211
            3   C8x C    28.8552  -19.0246
            4   C8x C    30.0647  -18.3211
            5   C8y C    30.0647  -16.9209
            6   C8y C    28.8552  -16.2243
            7   N2b N    31.2787  -16.2251 #+
            8   N2b N    26.4256  -16.2236 #+
            9   C1a C    28.8569  -14.8240
            10  O3a O    32.4917  -16.9227
            11  O3a O    31.2797  -14.8250 #-
            12  O3a O    26.4262  -14.8235 #-
            13  O3a O    25.2117  -16.9197
BOND        13
            1     5   7 1
            2     1   2 2
            3     1   8 1
            4     2   3 1
            5     6   9 1
            6     3   4 2
            7     7  10 2
            8     4   5 1
            9     7  11 1
            10    5   6 2
            11    8  12 1
            12    6   1 1
            13    8  13 2

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