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2-IODO-5-CHLOROPYRIDINE |
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ID: API-9455 CAS:244221-57-6 Supplier:APIchem SMILES:Ic1ccc(Cl)nc1 ChemMol.com FORMULA: C5H3ClIN
MASS: 239.4415
EXACT MASS: 238.8998748
INTERATOMIC DISTANCES
I 1 Cl 2 N 3 C 4 C 5 C 6
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I 1 0.0000
Cl 2 4.0000 0.0000
N 3 2.6458 1.7320 0.0000
C 4 1.7321 2.6457 2.0000 0.0000
C 5 1.0000 3.0000 1.7321 1.0001 0.0000
C 6 2.6458 1.7320 1.7320 1.0000 1.7321 0.0000
C 7 1.7320 2.6458 1.0001 1.7321 1.0000 2.0000
C 8 3.0000 1.0000 1.0000 1.7320 2.0000 1.0000
H 9 1.8397 3.1407 2.6200 0.6200 1.4158 1.4158
H 10 3.1408 1.8397 2.2900 1.4157 2.2901 0.6200
H 11 1.8397 3.1408 1.4158 2.2901 1.4158 2.6200
C 7 C 8 H 9 H 10 H 11
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C 7 0.0000
C 8 1.7321 0.0000
H 9 2.2901 2.2901 0.0000
H 10 2.6200 1.4158 1.6199 0.0000
H 11 0.6200 2.2901 2.8059 3.2400 0.0000
ATOMIC CHARGES
I 1 -0.0422526254
Cl 2 -0.0620268125
N 3 -0.2425198273
C 4 -0.0442955244
C 5 0.0315496976
C 6 -0.0238253661
C 7 0.0423383997
C 8 0.1292680147
H 9 0.0629247150
H 10 0.0647935560
H 11 0.0840457726
BOND ANGLES
8 3 7 Car Nar Car 120.001
3 7 11 Nar Car HC 120.000
7 3 8 Car Nar Car 120.001
6 4 5 Car Car Car 120.001
4 5 7 Car Car Car 119.998
9 4 5 HC Car Car 119.998
4 5 7 Car Car Car 119.998
5 4 6 Car Car Car 120.001
4 6 8 Car Car Car 120.001
4 6 10 Car Car HC 119.998
9 4 6 HC Car Car 120.001
4 6 8 Car Car Car 120.001
4 6 10 Car Car HC 119.998
5 4 9 Car Car HC 119.998
6 4 9 Car Car HC 120.001
10 6 8 HC Car Car 120.002
8 6 10 Car Car HC 120.002
TORSION ANGLES
8 3 7 5 0.026
8 3 7 11 179.974
7 3 8 2 179.974
7 3 8 6 0.026
6 4 5 1 179.974
6 4 5 7 0.026
9 4 5 1 0.026
9 4 5 7 179.974
5 4 6 8 0.026
5 4 6 10 179.974
9 4 6 8 179.974
9 4 6 10 0.026
1 5 7 3 179.974
1 5 7 11 0.026
4 5 7 3 0.026
4 5 7 11 179.974
4 6 8 2 179.974
4 6 8 3 0.026
10 6 8 2 0.026
10 6 8 3 179.974
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