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4-Bromopyridine hydrochloride |
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ID: API-9405 CAS:19524-06-2 Supplier:APIchem SMILES:Brc1ccncc1 ChemMol.com FORMULA: C5H4BrN
MASS: 157.9960
EXACT MASS: 156.9527111
INTERATOMIC DISTANCES
Br 1 N 2 C 3 C 4 C 5 C 6
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Br 1 0.0000
N 2 3.0000 0.0000
C 3 1.0000 2.0000 0.0000
C 4 1.7320 1.7320 1.0000 0.0000
C 5 1.7320 1.7320 1.0000 1.7320 0.0000
C 6 2.6457 1.0000 1.7320 1.0000 2.0000 0.0000
C 7 2.6457 1.0000 1.7320 2.0000 1.0000 1.7320
H 8 1.8397 2.2901 1.4158 0.6201 2.2901 1.4158
H 9 1.8396 2.2900 1.4157 2.2900 0.6200 2.6199
H 10 3.1408 1.4158 2.2901 1.4158 2.6200 0.6201
H 11 3.1407 1.4157 2.2900 2.6199 1.4158 2.2900
C 7 H 8 H 9 H 10 H 11
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C 7 0.0000
H 8 2.6200 0.0000
H 9 1.4158 2.8059 0.0000
H 10 2.2901 1.6200 3.2400 0.0000
H 11 0.6200 3.2400 1.6200 2.8059 0.0000
ATOMIC CHARGES
Br 1 -0.0501953572
N 2 -0.2631910489
C 3 0.0207401998
C 4 -0.0296068780
C 5 -0.0296068780
C 6 0.0285962131
C 7 0.0285962131
H 8 0.0643668359
H 9 0.0643668359
H 10 0.0829669322
H 11 0.0829669322
BOND ANGLES
7 2 6 Car Nar Car 119.999
2 6 10 Nar Car HC 120.002
6 2 7 Car Nar Car 119.999
2 7 11 Nar Car HC 119.998
5 3 4 Car Car Car 119.999
3 4 6 Car Car Car 120.001
3 4 8 Car Car HC 120.002
4 3 5 Car Car Car 119.999
3 5 7 Car Car Car 120.001
3 5 9 Car Car HC 119.998
8 4 6 HC Car Car 119.997
4 6 10 Car Car HC 119.997
6 4 8 Car Car HC 119.997
9 5 7 HC Car Car 120.002
5 7 11 Car Car HC 120.002
7 5 9 Car Car HC 120.002
TORSION ANGLES
7 2 6 4 0.026
7 2 6 10 179.974
6 2 7 5 0.026
6 2 7 11 179.974
1 3 4 6 179.974
1 3 4 8 0.026
5 3 4 6 0.026
5 3 4 8 179.974
1 3 5 7 179.974
1 3 5 9 0.026
4 3 5 7 0.026
4 3 5 9 179.974
3 4 6 2 0.026
3 4 6 10 179.974
8 4 6 2 179.974
8 4 6 10 0.026
3 5 7 2 0.026
3 5 7 11 179.974
9 5 7 2 179.974
9 5 7 11 0.026
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