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6-Amino-2,3-difluorophenol |
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ID: CHB83142 CAS:115551-33-2 Supplier:ChemiK Co.,Ltd. SMILES:c1(c(c(ccc1N)F)F)O FORMULA: C6H5F2NO
MASS: 145.1068
EXACT MASS: 145.0339202
INTERATOMIC DISTANCES
C 1 C 2 C 3 C 4 C 5 C 6
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C 1 0.0000
C 2 0.8462 0.0000
C 3 1.4658 0.8463 0.0000
C 4 1.6924 1.4657 0.8462 0.0000
C 5 1.4657 1.6924 1.4657 0.8462 0.0000
C 6 0.8463 1.4657 1.6925 1.4656 0.8462 0.0000
F 7 2.2390 1.4658 0.8462 1.4657 2.2389 2.5387
F 8 1.4658 0.8463 1.4658 2.2390 2.5387 2.2390
N 9 1.4658 2.2390 2.5388 2.2389 1.4657 0.8463
O 10 0.8463 1.4657 2.2390 2.5387 2.2389 1.4658
F 7 F 8 N 9 O 10
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F 7 0.0000
F 8 1.6925 0.0000
N 9 3.3850 2.9316 0.0000
O 10 2.9315 1.6925 1.6926 0.0000
ATOMIC CHARGES
C 1 0.2416351221
C 2 0.2073445240
C 3 0.1706880813
C 4 0.0335642190
C 5 0.0237775041
C 6 0.1302827491
F 7 -0.2016858071
F 8 -0.1983512003
N 9 -0.1246257232
O 10 -0.2826294691
BOND ANGLES
6 1 2 Car Car Car 119.998
1 2 3 Car Car Car 120.004
1 2 8 Car Car F 120.004
10 1 2 O3 Car Car 119.998
1 2 3 Car Car Car 120.004
1 2 8 Car Car F 120.004
8 2 3 F Car Car 119.993
2 3 4 Car Car Car 119.990
2 3 7 Car Car F 120.004
7 3 4 F Car Car 120.007
3 4 5 Car Car Car 120.007
2 1 6 Car Car Car 119.998
1 6 9 Car Car Npl 119.998
10 1 6 O3 Car Car 120.005
1 6 9 Car Car Npl 119.998
4 3 7 Car Car F 120.007
3 2 8 Car Car F 119.993
2 1 10 Car Car O3 119.998
6 1 10 Car Car O3 120.005
TORSION ANGLES
6 1 2 3 0.026
6 1 2 8 179.974
10 1 2 3 179.974
10 1 2 8 0.026
1 2 3 4 0.026
1 2 3 7 179.974
8 2 3 4 179.974
8 2 3 7 0.026
2 3 4 5 0.026
7 3 4 5 179.974
3 4 5 6 0.026
4 5 6 1 0.026
4 5 6 9 179.974
2 1 6 5 0.026
2 1 6 9 179.974
10 1 6 5 179.974
10 1 6 9 0.026
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