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2,6-Dichloro-4-nitropyridine |
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ID: B204112 CAS:25194-01-8 Supplier:BEYOND PHARMATECH CORPORATION LIMITED SMILES:c1(cc(cc(n1)Cl)[N+](=O)[O-])Cl FORMULA: C5H2Cl2N2O2
MASS: 192.9876
EXACT MASS: 191.9493327
INTERATOMIC DISTANCES
C 1 C 2 C 3 C 4 C 5 N 6
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C 1 0.0000
C 2 0.5882 0.0000
C 3 1.0167 0.5882 0.0000
C 4 1.1742 1.0192 0.5875 0.0000
C 5 1.0155 1.1750 1.0155 0.5860 0.0000
N 6 0.5875 1.0192 1.1742 1.0167 0.5861 0.0000
N 7 1.5534 1.0166 0.5882 1.0192 1.5537 1.7624
O 8 1.7624 1.1742 1.0192 1.5563 2.0347 2.1188
O 9 2.0334 1.5534 1.0167 1.1742 1.7602 2.1166
Cl 10 1.5522 1.7625 1.5522 1.0155 0.5875 1.0155
Cl 11 0.5918 1.0209 1.5576 1.7660 1.5566 1.0213
N 7 O 8 O 9 Cl 10 Cl 11
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N 7 0.0000
O 8 0.5875 0.0000
O 9 0.5882 1.0192 0.0000
Cl 10 2.0347 2.5605 2.1158 0.0000
Cl 11 2.0375 2.1205 2.5630 2.0368 0.0000
ATOMIC CHARGES
C 1 0.1454061757
C 2 0.1060579066
C 3 0.2948302607
C 4 0.1060579066
C 5 0.1454061757
N 6 -0.2221360996
N 7 0.0810813028
O 8 0.0414830928
O 9 -0.5760057213
Cl 10 -0.0610904999
Cl 11 -0.0610904999
BOND ANGLES
6 1 2 Nar Car Car 120.200
1 2 3 Car Car Car 119.594
11 1 2 Cl Car Car 119.799
1 2 3 Car Car Car 119.594
7 3 4 Ntr Car Car 120.205
3 4 5 Car Car Car 119.842
10 5 6 Cl Car Nar 119.837
2 1 6 Car Car Nar 120.200
11 1 6 Cl Car Nar 120.001
9 7 8 O- Ntr O2 120.200
8 7 9 O2 Ntr O- 120.200
4 3 7 Car Car Ntr 120.205
3 7 8 Car Ntr O2 120.205
3 7 9 Car Ntr O- 119.594
6 5 10 Nar Car Cl 119.837
2 1 11 Car Car Cl 119.799
6 1 11 Nar Car Cl 120.001
TORSION ANGLES
6 1 2 3 0.026
11 1 2 3 179.974
1 2 3 4 0.026
1 2 3 7 179.974
2 3 4 5 0.026
7 3 4 5 179.974
3 4 5 6 0.026
3 4 5 10 179.974
4 5 6 1 0.026
10 5 6 1 179.974
2 1 6 5 0.026
11 1 6 5 179.974
2 3 7 8 0.026
2 3 7 9 179.974
4 3 7 8 179.974
4 3 7 9 0.026
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