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2-Chloro-3-fluoro-6-picoline |
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ID: B184549 CAS:374633-32-6 Supplier:BEYOND PHARMATECH CORPORATION LIMITED SMILES:n1c(c(ccc1C)F)Cl FORMULA: C6H5ClFN
MASS: 145.5620
EXACT MASS: 145.0094551
INTERATOMIC DISTANCES
N 1 C 2 C 3 C 4 C 5 Cl 6
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N 1 0.0000
C 2 0.7468 0.0000
C 3 1.2864 0.7375 0.0000
C 4 0.7432 1.2875 1.4838 0.0000
C 5 1.4875 1.2864 0.7468 1.2843 0.0000
Cl 6 1.2875 0.7432 1.2843 1.9653 1.9673 0.0000
F 7 1.9673 1.2843 0.7432 2.2270 1.2875 1.4875
C 8 1.2843 1.4838 1.2875 0.7375 0.7432 2.2270
C 9 1.2875 1.9693 2.2305 0.7468 1.9673 2.5750
F 7 C 8 C 9
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F 7 0.0000
C 8 1.9653 0.0000
C 9 2.9738 1.2864 0.0000
ATOMIC CHARGES
N 1 -0.2360002736
C 2 0.1652002992
C 3 0.1683853179
C 4 0.0604749696
C 5 0.0333084389
Cl 6 -0.0589484545
F 7 -0.2016599969
C 8 0.0171157158
C 9 0.0521239836
BOND ANGLES
5 3 2 Car Car Car 120.143
3 2 1 Car Car Nar 120.143
2 3 5 Car Car Car 120.143
3 5 8 Car Car Car 119.556
TORSION ANGLES
3 2 1 4 0.026
6 2 1 4 179.974
7 3 2 1 179.974
7 3 2 6 0.026
5 3 2 1 0.026
5 3 2 6 179.974
8 4 1 2 0.026
9 4 1 2 179.974
3 5 8 4 0.026
5 8 4 1 0.026
5 8 4 9 179.974
2 3 5 8 0.026
7 3 5 8 179.974
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