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4-Amino-3,5-dichloro-2-ethoxypyridine |
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ID: 6855 Supplier:SYNCHEM OHG SMILES:c1(c(c(cnc1OCC)Cl)N)Cl FORMULA: C7H8Cl2N2O
MASS: 207.0572
EXACT MASS: 206.0013682
INTERATOMIC DISTANCES
C 1 C 2 N 3 C 4 C 5 C 6
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C 1 0.0000
C 2 0.8305 0.0000
N 3 1.4357 1.6542 0.0000
C 4 0.8292 1.4357 0.8305 0.0000
C 5 1.4333 0.8233 1.4316 1.6559 0.0000
C 6 1.6559 1.4316 0.8233 1.4333 0.8292 0.0000
N 7 1.4321 0.8250 2.4792 2.1888 1.4280 2.1861
Cl 8 2.1843 1.4250 2.1802 2.4771 0.8212 1.4280
O 9 1.4337 2.1915 1.4375 0.8269 2.4828 2.1892
C 10 1.6502 2.4807 2.1900 1.4292 2.9790 2.8625
C 11 2.4735 3.3040 2.8625 2.1803 3.7831 3.5982
Cl 12 0.8250 1.4345 2.1906 1.4334 2.1865 2.4809
N 7 Cl 8 O 9 C 10 C 11 Cl 12
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N 7 0.0000
Cl 8 1.6487 0.0000
O 9 2.8658 3.3040 0.0000
C 10 2.9793 3.7818 0.8254 0.0000
C 11 3.7841 4.5925 1.4250 0.8233 0.0000
Cl 12 1.6541 2.8595 1.6556 1.4307 2.1832 0.0000
ATOMIC CHARGES
C 1 0.1281866987
C 2 0.1161768560
N 3 -0.2084483102
C 4 0.2370867012
C 5 0.0945181377
C 6 0.1148018989
N 7 -0.1260753131
Cl 8 -0.0791788457
O 9 -0.4596291760
C 10 0.2072589893
C 11 0.0512242458
Cl 12 -0.0759218826
BOND ANGLES
6 5 2 Car Car Car 120.069
5 2 1 Car Car Car 120.150
2 5 6 Car Car Car 120.069
5 6 3 Car Car Nar 120.069
TORSION ANGLES
5 2 1 4 0.026
5 2 1 12 179.974
7 2 1 4 179.974
7 2 1 12 0.026
6 3 4 1 0.026
6 3 4 9 179.974
3 4 1 2 0.026
3 4 1 12 179.974
9 4 1 2 179.974
9 4 1 12 0.026
8 5 2 1 179.974
8 5 2 7 0.026
6 5 2 1 0.026
6 5 2 7 179.974
5 6 3 4 0.026
10 9 4 3 179.974
10 9 4 1 0.026
11 10 9 4 179.974
2 5 6 3 0.026
8 5 6 3 179.974
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