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2,5-Dichloro-3-fluoropyridine |
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ID: API-28922 CAS:103999-77-5 Supplier:APIchem SMILES:Clc1cc(F)c(Cl)nc1 ChemMol.com FORMULA: C5H2Cl2FN
MASS: 165.9805
EXACT MASS: 164.9548326
INTERATOMIC DISTANCES
Cl 1 Cl 2 F 3 N 4 C 5 C 6
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Cl 1 0.0000
Cl 2 4.0000 0.0000
F 3 3.4641 2.0000 0.0000
N 4 2.6457 1.7321 2.6458 0.0000
C 5 1.7320 2.6458 1.7321 2.0000 0.0000
C 6 2.6458 1.7320 1.0000 1.7321 1.0001 0.0000
C 7 1.0000 3.0000 2.6458 1.7320 1.0000 1.7321
C 8 3.0000 1.0000 1.7320 1.0001 1.7321 1.0000
C 9 1.7320 2.6458 3.0000 1.0000 1.7320 2.0000
H 10 1.8396 3.1408 1.8397 2.6200 0.6200 1.4158
H 11 1.8397 3.1408 3.6200 1.4157 2.2900 2.6200
C 7 C 8 C 9 H 10 H 11
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C 7 0.0000
C 8 2.0000 0.0000
C 9 1.0000 1.7321 0.0000
H 10 1.4158 2.2901 2.2901 0.0000
H 11 1.4158 2.2901 0.6200 2.8059 0.0000
ATOMIC CHARGES
Cl 1 -0.0818830847
Cl 2 -0.0589793426
F 3 -0.2022761691
N 4 -0.2392541066
C 5 -0.0036296900
C 6 0.1614046085
C 7 0.0618455180
C 8 0.1643423012
C 9 0.0477323194
H 10 0.0662172501
H 11 0.0844803958
BOND ANGLES
9 4 8 Car Nar Car 120.001
8 4 9 Car Nar Car 120.001
4 9 11 Nar Car HC 119.998
7 5 6 Car Car Car 120.001
5 6 8 Car Car Car 119.998
10 5 6 HC Car Car 119.998
5 6 8 Car Car Car 119.998
6 5 7 Car Car Car 120.001
5 7 9 Car Car Car 120.001
10 5 7 HC Car Car 120.001
5 7 9 Car Car Car 120.001
6 5 10 Car Car HC 119.998
7 5 10 Car Car HC 120.001
TORSION ANGLES
9 4 8 2 179.974
9 4 8 6 0.026
8 4 9 7 0.026
8 4 9 11 179.974
7 5 6 3 179.974
7 5 6 8 0.026
10 5 6 3 0.026
10 5 6 8 179.974
6 5 7 1 179.974
6 5 7 9 0.026
10 5 7 1 0.026
10 5 7 9 179.974
3 6 8 2 0.026
3 6 8 4 179.974
5 6 8 2 179.974
5 6 8 4 0.026
1 7 9 4 179.974
1 7 9 11 0.026
5 7 9 4 0.026
5 7 9 11 179.974
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