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2-Fluorophenylhydrazine |
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ID: API-45593 CAS:2368-80-1 Supplier:APIchem SMILES:Fc1c(NN)cccc1 ChemMol.com FORMULA: C6H7FN2
MASS: 126.1316
EXACT MASS: 126.0593265
INTERATOMIC DISTANCES
F 1 N 2 N 3 C 4 C 5 C 6
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F 1 0.0000
N 2 2.0000 0.0000
N 3 3.0000 1.0001 0.0000
C 4 1.7320 1.0000 1.7321 0.0000
C 5 1.0000 1.7320 2.6458 1.0000 0.0000
C 6 2.6458 1.7321 2.0000 1.0001 1.7321 0.0000
C 7 1.7320 2.6457 3.4641 1.7320 1.0000 2.0000
C 8 3.0000 2.6458 3.0000 1.7321 2.0000 1.0000
C 9 2.6457 3.0000 3.6056 2.0000 1.7320 1.7321
H 10 3.1408 1.8397 1.7732 1.4158 2.2901 0.6200
H 11 1.8397 3.1407 4.0130 2.2900 1.4158 2.6200
H 12 3.6200 3.1408 3.3533 2.2901 2.6200 1.4158
H 13 3.1407 3.6200 4.2101 2.6200 2.2901 2.2901
H 14 1.7732 0.6200 1.4158 1.4158 1.8397 2.2901
H 15 3.3533 1.4158 0.6200 2.2901 3.1408 2.6200
H 16 3.3533 1.4158 0.6200 1.8397 2.8292 1.7732
C 7 C 8 C 9 H 10 H 11 H 12
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C 7 0.0000
C 8 1.7321 0.0000
C 9 1.0000 1.0001 0.0000
H 10 2.6200 1.4158 2.2901 0.0000
H 11 0.6200 2.2901 1.4157 3.2400 0.0000
H 12 2.2901 0.6200 1.4158 1.6200 2.8059 0.0000
H 13 1.4158 1.4158 0.6200 2.8059 1.6199 1.6200
H 14 2.8292 3.1408 3.3533 2.4522 3.2380 3.6739
H 15 4.0131 3.6200 4.2101 2.3716 4.5380 3.9665
H 16 3.5192 2.7431 3.4849 1.3800 4.1077 3.0000
H 13 H 14 H 15 H 16
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H 13 0.0000
H 14 3.9665 0.0000
H 15 4.8185 1.6200 0.0000
H 16 4.0601 1.9436 1.0739 0.0000
ATOMIC CHARGES
F 1 -0.2035128603
N 2 -0.2805091570
N 3 -0.2564409288
C 4 0.0764187036
C 5 0.1453008939
C 6 -0.0368432312
C 7 -0.0245716139
C 8 -0.0598039999
C 9 -0.0589293762
H 10 0.0637237977
H 11 0.0646723862
H 12 0.0618177904
H 13 0.0618454096
H 14 0.1660611910
H 15 0.1403854975
H 16 0.1403854975
BOND ANGLES
4 2 3 Car Npl N3 119.998
2 3 15 Npl N3 HC 119.998
2 3 16 Npl N3 HC 120.000
14 2 3 HC Npl N3 120.000
2 3 15 Npl N3 HC 119.998
2 3 16 Npl N3 HC 120.000
3 2 4 N3 Npl Car 119.998
2 4 5 Npl Car Car 120.001
2 4 6 Npl Car Car 119.998
14 2 4 HC Npl Car 120.002
2 4 5 Npl Car Car 120.001
2 4 6 Npl Car Car 119.998
3 2 14 N3 Npl HC 120.000
4 2 14 Car Npl HC 120.002
16 3 15 HC N3 HC 120.002
15 3 16 HC N3 HC 120.002
6 4 5 Car Car Car 120.001
4 5 7 Car Car Car 120.001
5 4 6 Car Car Car 120.001
4 6 8 Car Car Car 119.998
4 6 10 Car Car HC 120.000
10 6 8 HC Car Car 120.002
6 8 9 Car Car Car 119.998
6 8 12 Car Car HC 120.002
8 6 10 Car Car HC 120.002
11 7 9 HC Car Car 119.998
7 9 13 Car Car HC 120.001
9 7 11 Car Car HC 119.998
12 8 9 HC Car Car 120.000
8 9 13 Car Car HC 119.998
9 8 12 Car Car HC 120.000
TORSION ANGLES
4 2 3 15 179.974
4 2 3 16 0.026
14 2 3 15 0.026
14 2 3 16 179.974
3 2 4 5 179.974
3 2 4 6 0.026
14 2 4 5 0.026
14 2 4 6 179.974
2 4 5 1 0.026
2 4 5 7 179.974
6 4 5 1 179.974
6 4 5 7 0.026
2 4 6 8 179.974
2 4 6 10 0.026
5 4 6 8 0.026
5 4 6 10 179.974
1 5 7 9 179.974
1 5 7 11 0.026
4 5 7 9 0.026
4 5 7 11 179.974
4 6 8 9 0.026
4 6 8 12 179.974
10 6 8 9 179.974
10 6 8 12 0.026
5 7 9 8 0.026
5 7 9 13 179.974
11 7 9 8 179.974
11 7 9 13 0.026
6 8 9 7 0.026
6 8 9 13 179.974
12 8 9 7 179.974
12 8 9 13 0.026
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