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5-Amino-2-chloro-3-picoline |
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ID: B184499 CAS:38186-82-2 Supplier:BEYOND PHARMATECH CORPORATION LIMITED SMILES:n1c(c(cc(c1)N)C)Cl FORMULA: C6H7ClN2
MASS: 142.5862
EXACT MASS: 142.0297759
INTERATOMIC DISTANCES
N 1 C 2 C 3 C 4 C 5 C 6
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N 1 0.0000
C 2 0.7426 0.0000
C 3 1.2864 0.7458 0.0000
C 4 1.4875 1.2935 0.7468 0.0000
C 5 0.7391 1.2875 1.4879 1.2915 0.0000
C 6 1.2843 1.4879 1.2875 0.7432 0.7458 0.0000
Cl 7 1.2875 0.7391 1.2843 1.9673 1.9637 2.2270
N 8 1.9610 2.2305 1.9678 1.2875 1.2864 0.7426
C 9 1.9673 1.2915 0.7432 1.2875 2.2311 1.9653
Cl 7 N 8 C 9
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Cl 7 0.0000
N 8 2.9696 0.0000
C 9 1.4875 2.5750 0.0000
ATOMIC CHARGES
N 1 -0.2313471469
C 2 0.1344400160
C 3 0.0079874656
C 4 0.0177335791
C 5 0.1177860098
C 6 0.1079456971
Cl 7 -0.0616726938
N 8 -0.1264369599
C 9 0.0335640331
BOND ANGLES
4 3 2 Car Car Car 120.143
3 2 1 Car Car Nar 119.589
2 3 4 Car Car Car 120.143
3 4 6 Car Car Car 119.556
TORSION ANGLES
3 2 1 5 0.026
7 2 1 5 179.974
9 3 2 1 179.974
9 3 2 7 0.026
4 3 2 1 0.026
4 3 2 7 179.974
3 4 6 5 0.026
3 4 6 8 179.974
6 5 1 2 0.026
4 6 5 1 0.026
8 6 5 1 179.974
2 3 4 6 0.026
9 3 4 6 179.974
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