Entry |
|
Name |
4-Amino-2,6-dinitrotoluene
|
Formula |
C7H7N3O4
|
Exact mass |
197.0437
|
Mol weight |
197.1482
|
Structure |
|
Reaction |
|
Pathway |
map01120 | Microbial metabolism in diverse environments |
|
Enzyme |
1.7.1.-
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 14
1 C8y C 28.0839 -23.6971
2 C8x C 28.0839 -25.0965
3 C8y C 29.2998 -25.7997
4 C8x C 30.5083 -25.0965
5 C8y C 30.5083 -23.6971
6 C8y C 29.2998 -23.0009
7 C1a C 29.3015 -21.6017
8 N2b N 31.7217 -23.0019 #+
9 N1a N 29.3015 -27.1989
10 O3a O 32.9340 -23.6988
11 O3a O 31.7227 -21.6025 #-
12 N2b N 26.8585 -22.9861 #+
13 O3a O 25.6363 -23.6881
14 O3a O 26.8615 -21.6166 #-
BOND 14
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 6 1 1
12 1 12 1
13 12 13 2
14 12 14 1
|