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2-Fluoro-6-methylaniline |
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ID: API-39745 CAS:443-89-0 Supplier:APIchem SMILES:Fc1c(N)c(ccc1)C ChemMol.com FORMULA: C7H8FN
MASS: 125.1435
EXACT MASS: 125.0640775
INTERATOMIC DISTANCES
F 1 N 2 C 3 C 4 C 5 C 6
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F 1 0.0000
N 2 2.0000 0.0000
C 3 2.6458 1.7320 0.0000
C 4 1.7321 1.0000 1.0000 0.0000
C 5 3.0000 2.6457 1.0000 1.7320 0.0000
C 6 1.0000 1.7321 1.7321 1.0001 2.0000 0.0000
C 7 3.4641 2.0000 1.0000 1.7320 1.7320 2.6458
C 8 2.6458 3.0000 1.7320 2.0000 1.0000 1.7321
C 9 1.7320 2.6458 2.0000 1.7321 1.7321 1.0000
H 10 3.6200 3.1407 1.4158 2.2900 0.6200 2.6200
H 11 3.1995 1.4955 1.1766 1.5200 2.1114 2.5121
H 12 4.0130 2.3715 1.6199 2.2900 2.2900 3.2380
H 13 3.8121 2.5557 1.1766 2.1114 1.5200 2.9083
H 14 3.1408 3.6200 2.2901 2.6200 1.4158 2.2901
H 15 1.8397 3.1408 2.6200 2.2901 2.2901 1.4158
H 16 1.7732 0.6201 2.2901 1.4158 3.1408 1.8397
H 17 2.6200 0.6200 1.8397 1.4158 2.8292 2.2901
C 7 C 8 C 9 H 10 H 11 H 12
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C 7 0.0000
C 8 2.6457 0.0000
C 9 3.0000 1.0001 0.0000
H 10 1.8397 1.4157 2.2901 0.0000
H 11 0.6200 2.9083 3.0634 2.3470 0.0000
H 12 0.6200 3.2379 3.6200 2.2901 0.8768 0.0000
H 13 0.6200 2.5121 3.0634 1.4245 1.2399 0.8768
H 14 3.1407 0.6200 1.4158 1.6199 3.4624 3.7058
H 15 3.6200 1.4158 0.6200 2.8059 3.6727 4.2400
H 16 2.6200 3.3533 2.8292 3.6739 2.1060 2.9788
H 17 1.7732 3.3533 3.1408 3.2380 1.1752 2.0000
H 13 H 14 H 15 H 16 H 17
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H 13 0.0000
H 14 2.9170 0.0000
H 15 3.6727 1.6200 0.0000
H 16 3.1721 3.9665 3.2380 0.0000
H 17 2.3825 3.9665 3.6739 1.0739 0.0000
ATOMIC CHARGES
F 1 -0.2035530805
N 2 -0.3555472054
C 3 -0.0270134474
C 4 0.0631795640
C 5 -0.0569243426
C 6 0.1441667393
C 7 -0.0378810811
C 8 -0.0586821830
C 9 -0.0246029217
H 10 0.0620793607
H 11 0.0278119118
H 12 0.0278119118
H 13 0.0278119118
H 14 0.0618535990
H 15 0.0646719914
H 16 0.1424086359
H 17 0.1424086359
BOND ANGLES
16 2 4 HC Npl Car 119.997
2 4 6 Npl Car Car 119.998
17 2 4 HC Npl Car 120.002
2 4 6 Npl Car Car 119.998
4 2 16 Car Npl HC 119.997
17 2 16 HC Npl HC 120.001
4 2 17 Car Npl HC 120.002
16 2 17 HC Npl HC 120.001
5 3 4 Car Car Car 120.001
3 4 6 Car Car Car 120.001
7 3 4 C3 Car Car 119.999
3 4 6 Car Car Car 120.001
4 3 5 Car Car Car 120.001
3 5 8 Car Car Car 120.001
3 5 10 Car Car HC 120.002
7 3 5 C3 Car Car 120.001
3 5 8 Car Car Car 120.001
3 5 10 Car Car HC 120.002
4 3 7 Car Car C3 119.999
3 7 11 Car C3 HC 89.999
3 7 12 Car C3 HC 179.974
3 7 13 Car C3 HC 90.001
5 3 7 Car Car C3 120.001
3 7 11 Car C3 HC 89.999
3 7 12 Car C3 HC 179.974
3 7 13 Car C3 HC 90.001
10 5 8 HC Car Car 119.998
5 8 9 Car Car Car 120.001
5 8 14 Car Car HC 120.001
8 5 10 Car Car HC 119.998
12 7 11 HC C3 HC 90.000
13 7 11 HC C3 HC 179.974
11 7 12 HC C3 HC 90.000
13 7 12 HC C3 HC 90.000
11 7 13 HC C3 HC 179.974
12 7 13 HC C3 HC 90.000
14 8 9 HC Car Car 119.998
8 9 15 Car Car HC 120.000
9 8 14 Car Car HC 119.998
TORSION ANGLES
16 2 4 3 179.974
16 2 4 6 0.026
17 2 4 3 0.026
17 2 4 6 179.974
5 3 4 2 179.974
5 3 4 6 0.026
7 3 4 2 0.026
7 3 4 6 179.974
4 3 5 8 0.026
4 3 5 10 179.974
7 3 5 8 179.974
7 3 5 10 0.026
4 3 7 11 0.026
4 3 7 12 0.026
4 3 7 13 179.974
5 3 7 11 179.974
5 3 7 12 179.974
5 3 7 13 0.026
2 4 6 1 0.026
2 4 6 9 179.974
3 4 6 1 179.974
3 4 6 9 0.026
3 5 8 9 0.026
3 5 8 14 179.974
10 5 8 9 179.974
10 5 8 14 0.026
1 6 9 8 179.974
1 6 9 15 0.026
4 6 9 8 0.026
4 6 9 15 179.974
5 8 9 6 0.026
5 8 9 15 179.974
14 8 9 6 179.974
14 8 9 15 0.026
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