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4-Amino-3,5-dichloro-2-methylpyridine |
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ID: 6858 CAS:195045-26-2 Supplier:SYNCHEM OHG SMILES:c1(c(ncc(c1N)Cl)C)Cl FORMULA: C6H6Cl2N2
MASS: 177.0312
EXACT MASS: 175.9908036
INTERATOMIC DISTANCES
C 1 C 2 N 3 C 4 Cl 5 N 6
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C 1 0.0000
C 2 0.8333 0.0000
N 3 1.4393 0.8305 0.0000
C 4 0.8305 1.4393 1.6583 0.0000
Cl 5 0.8233 1.4352 2.1919 1.4333 0.0000
N 6 1.4321 2.1927 2.4833 0.8250 1.6538 0.0000
C 7 1.6579 1.4333 0.8233 1.4352 2.4812 2.1899
C 8 1.4333 1.6538 1.4280 0.8275 2.1867 1.4352
C 9 1.4352 0.8233 1.4333 2.1919 1.6583 2.8673
Cl 10 2.1868 2.4787 2.1801 1.4290 2.8623 1.6560
C 7 C 8 C 9 Cl 10
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C 7 0.0000
C 8 0.8250 0.0000
C 9 2.1851 2.4771 0.0000
Cl 10 1.4268 0.8250 3.3020 0.0000
ATOMIC CHARGES
C 1 0.0887236025
C 2 0.0712698454
N 3 -0.2463202190
C 4 0.1127609359
Cl 5 -0.0795753142
N 6 -0.1261952230
C 7 0.1111933261
C 8 0.0942822612
C 9 0.0530427517
Cl 10 -0.0791819664
BOND ANGLES
3 7 8 Nar Car Car 120.069
7 8 4 Car Car Car 120.566
7 8 10 Car Car Cl 119.713
10 8 4 Cl Car Car 119.721
8 4 1 Car Car Car 119.652
8 7 3 Car Car Nar 120.069
7 3 2 Car Nar Car 120.150
4 8 10 Car Car Cl 119.721
TORSION ANGLES
3 2 1 4 0.026
3 2 1 5 179.974
9 2 1 4 179.974
9 2 1 5 0.026
7 3 2 1 0.026
7 3 2 9 179.974
6 4 1 2 179.974
6 4 1 5 0.026
8 4 1 2 0.026
8 4 1 5 179.974
3 7 8 4 0.026
3 7 8 10 179.974
7 8 4 1 0.026
7 8 4 6 179.974
10 8 4 1 179.974
10 8 4 6 0.026
8 7 3 2 0.026
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