| Entry |
|
|---|
| Name |
2,4-Dinitrotoluene;
2,4-DNT
|
|---|
| Formula |
C7H6N2O4
|
|---|
| Exact mass |
182.0328
|
|---|
| Mol weight |
182.1335
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map01120 | Microbial metabolism in diverse environments |
| map01220 | Degradation of aromatic compounds |
|
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| Enzyme |
|
|---|
| Brite |
Carcinogens [BR:br08008]
Group 2B: Possibly carcinogenic to humans
Compounds
C11006 2,4-Dinitrotoluene
|
|---|
| Other DBs |
|
|---|
| KCF data |
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
|
|---|
