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2-(2-fluorophenoxy)ethanamine
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ID: BP-10542
CAS:120351-90-8 Supplier:BroadPharm SMILES:c1(c(OCCN)cccc1)F FORMULA: C8H10FNO
MASS: 155.1695
EXACT MASS: 155.0746422
INTERATOMIC DISTANCES
C 1 C 2 F 3 N 4 O 5 C 6
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C 1 0.0000
C 2 1.2500 0.0000
F 3 1.2543 2.1676 0.0000
N 4 5.0000 3.7500 5.7292 0.0000
O 5 2.1676 1.2543 2.5000 3.3088 0.0000
C 6 1.2435 2.1613 2.1625 5.7268 3.3055 0.0000
C 7 2.1613 1.2435 3.3055 3.3047 2.1625 2.5000
C 8 3.7500 2.5000 4.5081 1.2500 2.1676 4.5051
C 9 3.3088 2.1676 3.7500 2.1676 1.2500 4.3288
C 10 2.1625 2.4978 3.3096 5.4476 3.7521 1.2543
C 11 2.4978 2.1625 3.7521 4.3288 3.3096 2.1676
C 7 C 8 C 9 C 10 C 11
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C 7 0.0000
C 8 2.1613 0.0000
C 9 2.4978 1.2543 0.0000
C 10 2.1676 4.3288 4.5087 0.0000
C 11 1.2543 3.3055 3.7521 1.2500 0.0000
ATOMIC CHARGES
C 1 0.1738112361
C 2 0.1658457734
F 3 -0.2009697394
N 4 -0.1272887935
O 5 -0.4715779155
C 6 0.0327760947
C 7 0.0392325465
C 8 0.1564691447
C 9 0.2259312620
C 10 0.0025102048
C 11 0.0032601862
BOND ANGLES
7 11 10 Car Car Car 119.887
11 10 6 Car Car Car 119.887
10 11 7 Car Car Car 119.887
11 7 2 Car Car Car 119.940
TORSION ANGLES
5 2 1 3 0.026
5 2 1 6 179.974
7 2 1 3 179.974
7 2 1 6 0.026
9 5 2 1 179.974
9 5 2 7 0.026
10 6 1 2 0.026
10 6 1 3 179.974
11 7 2 1 0.026
11 7 2 5 179.974
4 8 9 5 179.974
8 9 5 2 0.026
11 10 6 1 0.026
7 11 10 6 0.026
10 11 7 2 0.026
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