KEGG   COMPOUND: C11006Help
Entry
C11006                      Compound                               

Name
2,4-Dinitrotoluene;
2,4-DNT
Formula
C7H6N2O4
Exact mass
182.0328
Mol weight
182.1335
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Nitrotoluene degradation
Microbial metabolism in diverse environments
Enzyme
1.7.1.-         1.14.12.-
Brite
Carcinogens [BR:br08008]
 Group 2B: Possibly carcinogenic to humans
  Compounds
   C11006  2,4-Dinitrotoluene
BRITE hierarchy
Other DBs
CAS: 
121-14-2
PubChem: 
ChEBI: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        13
            1   C8x C    26.4215  -15.8718
            2   C8x C    26.4215  -17.2721
            3   C8y C    27.6381  -17.9757
            4   C8x C    28.8473  -17.2721
            5   C8y C    28.8473  -15.8718
            6   C8y C    27.6381  -15.1752
            7   C1a C    27.6398  -13.7751
            8   N2b N    30.0615  -15.1762 #+
            9   N2b N    27.6398  -19.3758 #+
            10  O3a O    31.2745  -15.8736
            11  O3a O    30.0625  -13.7759 #-
            12  O3a O    26.4271  -20.0739
            13  O3a O    28.8543  -20.0709 #-
BOND        13
            1     6   7 1
            2     1   2 2
            3     5   8 1
            4     2   3 1
            5     3   9 1
            6     3   4 2
            7     8  10 2
            8     4   5 1
            9     8  11 1
            10    5   6 2
            11    9  12 2
            12    6   1 1
            13    9  13 1

» Japanese version

DBGET integrated database retrieval system