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2-Amino-3,5-dibromo-6-picoline |
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ID: B184500 CAS:91872-10-5 Supplier:BEYOND PHARMATECH CORPORATION LIMITED SMILES:n1c(c(cc(c1C)Br)Br)N FORMULA: C6H6Br2N2
MASS: 265.9332
EXACT MASS: 263.8897722
INTERATOMIC DISTANCES
N 1 C 2 C 3 C 4 C 5 C 6
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N 1 0.0000
C 2 0.7426 0.0000
C 3 1.4875 1.2935 0.0000
C 4 1.2864 0.7458 0.7468 0.0000
C 5 0.7391 1.2875 1.2915 1.4879 0.0000
C 6 1.2843 1.4879 0.7432 1.2875 0.7458 0.0000
N 7 1.2875 0.7391 1.9673 1.2843 1.9637 2.2270
Br 8 1.9673 1.2915 1.2875 0.7432 2.2311 1.9653
Br 9 1.9610 2.2305 1.2875 1.9678 1.2864 0.7426
C 10 1.2875 1.9678 1.9673 2.2305 0.7426 1.2864
N 7 Br 8 Br 9 C 10
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N 7 0.0000
Br 8 1.4875 0.0000
Br 9 2.9696 2.5750 0.0000
C 10 2.5750 2.9738 1.4792 0.0000
ATOMIC CHARGES
N 1 -0.2309253352
C 2 0.1755887287
C 3 0.0174835203
C 4 0.0698008820
C 5 0.0670694866
C 6 0.0487184817
N 7 -0.1066838233
Br 8 -0.0459675688
Br 9 -0.0477553154
C 10 0.0526709434
BOND ANGLES
3 4 2 Car Car Car 120.143
4 2 1 Car Car Nar 119.589
2 4 3 Car Car Car 120.143
4 3 6 Car Car Car 119.556
TORSION ANGLES
4 2 1 5 0.026
7 2 1 5 179.974
4 3 6 5 0.026
4 3 6 9 179.974
8 4 2 1 179.974
8 4 2 7 0.026
3 4 2 1 0.026
3 4 2 7 179.974
6 5 1 2 0.026
10 5 1 2 179.974
3 6 5 1 0.026
3 6 5 10 179.974
9 6 5 1 179.974
9 6 5 10 0.026
2 4 3 6 0.026
8 4 3 6 179.974
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