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2-Fluoro-5-methylpyridine |
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ID: API-45598 CAS:2369-19-9 Supplier:APIchem SMILES:Fc1ncc(cc1)C ChemMol.com FORMULA: C6H6FN
MASS: 111.1169
EXACT MASS: 111.0484274
INTERATOMIC DISTANCES
F 1 N 2 C 3 C 4 C 5 C 6
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F 1 0.0000
N 2 1.7320 0.0000
C 3 3.0000 1.7321 0.0000
C 4 2.6457 2.0000 1.0001 0.0000
C 5 4.0000 2.6458 1.0000 1.7321 0.0000
C 6 2.6458 1.0001 1.0000 1.7321 1.7320 0.0000
C 7 1.7320 1.7320 1.7321 1.0000 2.6458 2.0000
C 8 1.0000 1.0000 2.0000 1.7320 3.0000 1.7321
H 9 3.1407 2.6200 1.4158 0.6200 1.8397 2.2901
H 10 4.0478 2.5121 1.1766 2.1115 0.6200 1.5200
H 11 4.6200 3.2380 1.6199 2.2901 0.6200 2.2900
H 12 4.0477 2.9083 1.1766 1.5201 0.6200 2.1114
H 13 3.1408 1.4158 1.4158 2.2901 1.8397 0.6200
H 14 1.8397 2.2900 2.2901 1.4157 3.1408 2.6200
C 7 C 8 H 9 H 10 H 11 H 12
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C 7 0.0000
C 8 1.0000 0.0000
H 9 1.4158 2.2901 0.0000
H 10 2.9083 3.0634 2.3470 0.0000
H 11 3.2380 3.6200 2.2901 0.8768 0.0000
H 12 2.5121 3.0634 1.4245 1.2399 0.8768 0.0000
H 13 2.6200 2.2901 2.8059 1.4245 2.2901 2.3470
H 14 0.6200 1.4158 1.6199 3.4624 3.7058 2.9170
H 13 H 14
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H 13 0.0000
H 14 3.2400 0.0000
ATOMIC CHARGES
F 1 -0.1839064466
N 2 -0.2273487469
C 3 -0.0321620996
C 4 -0.0531661799
C 5 -0.0382725638
C 6 0.0335458729
C 7 -0.0070185397
C 8 0.2131971814
H 9 0.0622010615
H 10 0.0277996091
H 11 0.0277996091
H 12 0.0277996091
H 13 0.0833022070
H 14 0.0662294263
BOND ANGLES
8 2 6 Car Nar Car 120.001
2 6 13 Nar Car HC 120.000
6 2 8 Car Nar Car 120.001
5 3 4 C3 Car Car 120.001
3 4 7 Car Car Car 120.001
3 4 9 Car Car HC 119.998
6 3 4 Car Car Car 119.998
3 4 7 Car Car Car 120.001
3 4 9 Car Car HC 119.998
4 3 5 Car Car C3 120.001
3 5 10 Car C3 HC 90.001
3 5 11 Car C3 HC 179.974
3 5 12 Car C3 HC 89.999
6 3 5 Car Car C3 120.001
3 5 10 Car C3 HC 90.001
3 5 11 Car C3 HC 179.974
3 5 12 Car C3 HC 89.999
4 3 6 Car Car Car 119.998
3 6 13 Car Car HC 120.002
5 3 6 C3 Car Car 120.001
3 6 13 Car Car HC 120.002
9 4 7 HC Car Car 120.001
4 7 8 Car Car Car 120.001
4 7 14 Car Car HC 119.998
7 4 9 Car Car HC 120.001
11 5 10 HC C3 HC 90.000
12 5 10 HC C3 HC 179.974
10 5 11 HC C3 HC 90.000
12 5 11 HC C3 HC 90.000
10 5 12 HC C3 HC 179.974
11 5 12 HC C3 HC 90.000
14 7 8 HC Car Car 120.002
8 7 14 Car Car HC 120.002
TORSION ANGLES
8 2 6 3 0.026
8 2 6 13 179.974
6 2 8 1 179.974
6 2 8 7 0.026
5 3 4 7 179.974
5 3 4 9 0.026
6 3 4 7 0.026
6 3 4 9 179.974
4 3 5 10 179.974
4 3 5 11 0.026
4 3 5 12 0.026
6 3 5 10 0.026
6 3 5 11 179.974
6 3 5 12 179.974
4 3 6 2 0.026
4 3 6 13 179.974
5 3 6 2 179.974
5 3 6 13 0.026
3 4 7 8 0.026
3 4 7 14 179.974
9 4 7 8 179.974
9 4 7 14 0.026
4 7 8 1 179.974
4 7 8 2 0.026
14 7 8 1 0.026
14 7 8 2 179.974
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