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5-Fluoro-2-methoxy-6-picoline |
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ID: B184560 CAS:375368-86-8 Supplier:BEYOND PHARMATECH CORPORATION LIMITED SMILES:n1c(c(ccc1OC)F)C FORMULA: C7H8FNO
MASS: 141.1429
EXACT MASS: 141.0589921
INTERATOMIC DISTANCES
N 1 C 2 C 3 C 4 C 5 C 6
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N 1 0.0000
C 2 0.7411 0.0000
C 3 0.7447 1.2875 0.0000
C 4 1.2843 0.7417 1.4859 0.0000
C 5 1.4875 1.2879 1.2900 0.7432 0.0000
C 6 1.2935 1.4900 0.7500 1.2875 0.7426 0.0000
F 7 1.9641 1.2864 2.2305 0.7447 1.2875 1.9670
O 8 1.2875 1.9645 0.7411 2.2270 1.9673 1.2915
C 9 1.2875 0.7447 1.9685 1.2864 1.9673 2.2347
C 10 1.4859 2.2270 1.2843 2.6758 2.5743 1.9699
F 7 O 8 C 9 C 10
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F 7 0.0000
O 8 2.9717 0.0000
C 9 1.4833 2.5750 0.0000
C 10 3.4031 0.7417 2.6797 0.0000
ATOMIC CHARGES
N 1 -0.2137793191
C 2 0.0897653694
C 3 0.2247723230
C 4 0.1538006262
C 5 0.0356468699
C 6 0.0599995073
F 7 -0.2029236803
O 8 -0.4561277441
C 9 0.0546140143
C 10 0.2542320334
BOND ANGLES
4 5 6 Car Car Car 120.110
5 6 3 Car Car Car 119.589
6 5 4 Car Car Car 120.110
5 4 2 Car Car Car 120.301
TORSION ANGLES
4 2 1 3 0.026
9 2 1 3 179.974
6 3 1 2 0.026
8 3 1 2 179.974
7 4 2 1 179.974
7 4 2 9 0.026
5 4 2 1 0.026
5 4 2 9 179.974
4 5 6 3 0.026
5 6 3 1 0.026
5 6 3 8 179.974
10 8 3 1 0.026
10 8 3 6 179.974
6 5 4 2 0.026
6 5 4 7 179.974
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