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5-Fluoro-2-hydroxypyridine |
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ID: B184558 CAS:51173-05-8 Supplier:BEYOND PHARMATECH CORPORATION LIMITED SMILES:n1c(ccc(c1)F)O FORMULA: C5H4FNO
MASS: 113.0898
EXACT MASS: 113.0276920
INTERATOMIC DISTANCES
N 1 C 2 C 3 C 4 C 5 O 6
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N 1 0.0000
C 2 0.7468 0.0000
C 3 0.7432 1.2875 0.0000
C 4 1.2843 1.4838 0.7375 0.0000
C 5 1.2864 0.7375 1.4838 1.2875 0.0000
O 6 1.2875 0.7432 1.9653 2.2270 1.2843 0.0000
F 7 1.9610 2.2264 1.2792 0.7426 1.9678 2.9696
C 8 1.4875 1.2864 1.2843 0.7432 0.7468 1.9673
F 7 C 8
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F 7 0.0000
C 8 1.2875 0.0000
ATOMIC CHARGES
N 1 -0.2039624249
C 2 0.2794790802
C 3 0.1317200725
C 4 0.1594313980
C 5 0.0648532897
O 6 -0.2651929171
F 7 -0.2025250784
C 8 0.0361965799
BOND ANGLES
8 5 2 Car Car Car 120.143
5 2 1 Car Car Nar 120.143
2 5 8 Car Car Car 120.143
5 8 4 Car Car Car 119.556
TORSION ANGLES
5 2 1 3 0.026
6 2 1 3 179.974
4 3 1 2 0.026
7 4 3 1 179.974
8 4 3 1 0.026
8 5 2 1 0.026
8 5 2 6 179.974
5 8 4 3 0.026
5 8 4 7 179.974
2 5 8 4 0.026
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