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7-fluoro-oxindole |
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ID: B184470 CAS:71294-03-6 Supplier:BEYOND PHARMATECH CORPORATION LIMITED SMILES:N1c2c(CC1=O)cccc2F FORMULA: C8H6FNO
MASS: 151.1377
EXACT MASS: 151.0433420
INTERATOMIC DISTANCES
N 1 C 2 C 3 C 4 C 5 C 6
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N 1 0.0000
C 2 0.7445 0.0000
C 3 0.7450 1.2083 0.0000
C 4 1.2051 0.7458 1.2096 0.0000
C 5 1.2042 1.2051 0.7484 0.7445 0.0000
C 6 1.3579 0.7432 1.9407 1.2915 1.9092 0.0000
O 7 1.3231 1.9236 0.7375 1.9244 1.3250 2.6369
F 8 1.6121 1.2859 2.3255 1.9686 2.4872 0.7417
C 9 1.9033 1.2843 1.9392 0.7391 1.3570 1.4875
C 10 2.2176 1.4838 2.4649 1.2875 2.0099 1.2864
C 11 2.0084 1.2875 2.4662 1.4900 2.2231 0.7447
O 7 F 8 C 9 C 10 C 11
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O 7 0.0000
F 8 2.9306 0.0000
C 9 2.6357 2.2292 0.0000
C 10 3.1961 1.9648 0.7468 0.0000
C 11 3.1971 1.2885 1.2900 0.7417 0.0000
ATOMIC CHARGES
N 1 -0.1769558679
C 2 0.0972038781
C 3 0.2500944732
C 4 0.0045617445
C 5 0.1148098953
C 6 0.1550198321
O 7 -0.2726167929
F 8 -0.2028086237
C 9 -0.0023525969
C 10 0.0020800516
C 11 0.0309640066
BOND ANGLES
4 5 3 Car C3 C2 108.237
5 3 1 C3 C2 Nam 107.472
10 9 4 Car Car Car 120.111
9 4 2 Car Car Car 119.746
3 5 4 C2 C3 Car 108.237
5 4 2 C3 Car Car 107.931
4 9 10 Car Car Car 120.111
9 10 11 Car Car Car 120.143
TORSION ANGLES
4 2 1 3 0.026
6 2 1 3 179.974
5 3 1 2 0.026
7 3 1 2 179.974
9 4 2 1 179.974
9 4 2 6 0.026
5 4 2 1 0.026
5 4 2 6 179.974
4 5 3 1 0.026
4 5 3 7 179.974
8 6 2 1 0.026
8 6 2 4 179.974
11 6 2 1 179.974
11 6 2 4 0.026
10 9 4 2 0.026
10 9 4 5 179.974
9 10 11 6 0.026
10 11 6 2 0.026
10 11 6 8 179.974
3 5 4 2 0.026
3 5 4 9 179.974
4 9 10 11 0.026
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