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2-Amino-3,5-dibromo-6-hydroxypyridine, 90% |
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ID: 6722 CAS:1308677-76-0 Supplier:SYNCHEM OHG SMILES:n1c(c(cc(c1O)Br)Br)N FORMULA: C5H4Br2N2O
MASS: 267.9061
EXACT MASS: 265.8690368
INTERATOMIC DISTANCES
N 1 C 2 C 3 C 4 N 5 C 6
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N 1 0.0000
C 2 0.8233 0.0000
C 3 0.8233 1.4250 0.0000
C 4 1.4280 0.8250 1.6466 0.0000
N 5 1.4375 0.8321 2.1884 1.4306 0.0000
C 6 1.6500 1.4280 1.4280 0.8233 2.1852 0.0000
C 7 1.4280 1.6466 0.8250 1.4250 2.4786 0.8233
Br 8 2.1829 1.4301 2.4735 0.8269 1.6458 1.4292
O 9 1.4250 2.1769 0.8233 2.4699 2.8625 2.1802
Br 10 2.1813 2.4716 1.4287 2.1790 3.3036 1.4272
C 7 Br 8 O 9 Br 10
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C 7 0.0000
Br 8 2.1811 0.0000
O 9 1.4280 3.2968 0.0000
Br 10 0.8250 2.8564 1.6496 0.0000
ATOMIC CHARGES
N 1 -0.1886735001
C 2 0.1790207694
C 3 0.2866651468
C 4 0.0700314927
N 5 -0.1065663674
C 6 0.0211431538
C 7 0.0929191173
Br 8 -0.0459645766
O 9 -0.2646083969
Br 10 -0.0439668391
BOND ANGLES
6 4 2 Car Car Car 120.069
4 2 1 Car Car Nar 120.069
10 7 3 Br Car Car 119.968
7 3 1 Car Car Nar 120.069
2 4 6 Car Car Car 120.069
4 6 7 Car Car Car 119.863
3 7 10 Car Car Br 119.968
TORSION ANGLES
4 2 1 3 0.026
5 2 1 3 179.974
7 3 1 2 0.026
9 3 1 2 179.974
8 4 2 1 179.974
8 4 2 5 0.026
6 4 2 1 0.026
6 4 2 5 179.974
4 6 7 3 0.026
4 6 7 10 179.974
6 7 3 1 0.026
6 7 3 9 179.974
10 7 3 1 179.974
10 7 3 9 0.026
2 4 6 7 0.026
8 4 6 7 179.974
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