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6-Chloro-5-fluoro-2-oxindole |
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ID: API-9470 CAS:100487-74-9 Supplier:APIchem SMILES:Clc1cc2NC(=O)Cc2cc1F ChemMol.com FORMULA: C8H5ClFNO
MASS: 185.5828
EXACT MASS: 185.0043697
INTERATOMIC DISTANCES
Cl 1 F 2 O 3 N 4 C 5 C 6
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Cl 1 0.0000
F 2 2.0000 0.0000
O 3 5.2245 5.2245 0.0000
N 4 3.5497 3.9773 1.7763 0.0000
C 5 3.0000 2.6458 2.5787 1.6117 0.0000
C 6 3.9774 3.5497 1.7764 1.6095 0.9941 0.0000
C 7 2.6458 3.0000 2.5787 0.9941 1.0000 1.6118
C 8 4.2473 4.2473 1.0000 0.9940 1.6094 0.9941
C 9 2.6457 1.7320 3.5401 2.5576 1.0001 1.8228
C 10 1.7320 2.6457 3.5401 1.8228 1.7321 2.5577
C 11 1.7320 1.0000 4.2911 2.9792 1.7321 2.6956
C 12 1.0000 1.7320 4.2911 2.6956 2.0000 2.9792
H 13 4.0584 3.3142 2.2907 2.1908 1.1150 0.6200
H 14 4.5967 4.0833 1.5282 1.9925 1.6056 0.6200
H 15 3.7576 4.4380 1.9693 0.6200 2.2100 2.2072
H 16 3.1407 1.8396 3.7625 3.0271 1.4158 1.9872
H 17 1.8396 3.1407 3.7625 1.9872 2.2901 3.0272
C 7 C 8 C 9 C 10 C 11 C 12
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C 7 0.0000
C 8 1.6094 0.0000
C 9 1.7321 2.5962 0.0000
C 10 1.0001 2.5962 2.0000 0.0000
C 11 2.0000 3.3000 1.0000 1.7320 0.0000
C 12 1.7321 3.3000 1.7320 1.0000 1.0000 0.0000
H 13 1.9966 1.6057 1.6049 2.8395 2.5791 3.0651
H 14 2.1923 1.1150 2.3525 3.1607 3.2738 3.5980
H 15 1.4478 1.4478 3.1226 2.0432 3.4394 3.0069
H 16 2.2901 2.8922 0.6200 2.6200 1.4158 2.2901
H 17 1.4158 2.8922 2.6200 0.6200 2.2901 1.4158
H 13 H 14 H 15 H 16 H 17
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H 13 0.0000
H 14 0.8294 0.0000
H 15 2.8010 2.5316 0.0000
H 16 1.5809 2.4036 3.6199 0.0000
H 17 3.3746 3.6050 2.0176 3.2400 0.0000
ATOMIC CHARGES
Cl 1 -0.0805149155
F 2 -0.2039507987
O 3 -0.2751141757
N 4 -0.2849288151
C 5 -0.0146274448
C 6 0.0512516560
C 7 0.0385954724
C 8 0.2215918429
C 9 -0.0196000942
C 10 -0.0190582732
C 11 0.1420019410
C 12 0.0778465173
H 13 0.0407636619
H 14 0.0407636619
H 15 0.1548202319
H 16 0.0649998222
H 17 0.0651597097
BOND ANGLES
8 4 7 C2 Nam Car 108.101
4 7 10 Nam Car Car 132.152
15 4 7 HC Nam Car 125.949
4 7 10 Nam Car Car 132.152
7 4 8 Car Nam C2 108.101
15 4 8 HC Nam C2 125.950
7 4 15 Car Nam HC 125.949
8 4 15 C2 Nam HC 125.950
7 5 6 Car Car C3 107.855
5 6 8 Car C3 C2 108.092
5 6 13 Car C3 HC 83.974
5 6 14 Car C3 HC 167.941
9 5 6 Car Car C3 132.147
5 6 8 Car C3 C2 108.092
5 6 13 Car C3 HC 83.974
5 6 14 Car C3 HC 167.941
6 5 7 C3 Car Car 107.855
5 7 10 Car Car Car 119.998
9 5 7 Car Car Car 119.998
5 7 10 Car Car Car 119.998
6 5 9 C3 Car Car 132.147
5 9 11 Car Car Car 120.001
5 9 16 Car Car HC 119.998
7 5 9 Car Car Car 119.998
5 9 11 Car Car Car 120.001
5 9 16 Car Car HC 119.998
13 6 8 HC C3 C2 167.934
14 6 8 HC C3 C2 83.967
8 6 13 C2 C3 HC 167.934
14 6 13 HC C3 HC 83.967
8 6 14 C2 C3 HC 83.967
13 6 14 HC C3 HC 83.967
16 9 11 HC Car Car 120.001
9 11 12 Car Car Car 120.001
11 9 16 Car Car HC 120.001
17 10 12 HC Car Car 120.001
12 10 17 Car Car HC 120.001
TORSION ANGLES
8 4 7 5 0.026
8 4 7 10 179.974
15 4 7 5 179.974
15 4 7 10 0.026
7 4 8 3 179.974
7 4 8 6 0.026
15 4 8 3 0.026
15 4 8 6 179.974
7 5 6 8 0.026
7 5 6 13 179.974
7 5 6 14 179.974
9 5 6 8 179.974
9 5 6 13 0.026
9 5 6 14 0.026
6 5 7 4 0.026
6 5 7 10 179.974
9 5 7 4 179.974
9 5 7 10 0.026
6 5 9 11 179.974
6 5 9 16 0.026
7 5 9 11 0.026
7 5 9 16 179.974
5 6 8 3 179.974
5 6 8 4 0.026
13 6 8 3 0.026
13 6 8 4 179.974
14 6 8 3 0.026
14 6 8 4 179.974
4 7 10 12 179.974
4 7 10 17 0.026
5 7 10 12 0.026
5 7 10 17 179.974
5 9 11 2 179.974
5 9 11 12 0.026
16 9 11 2 0.026
16 9 11 12 179.974
7 10 12 1 179.974
7 10 12 11 0.026
17 10 12 1 0.026
17 10 12 11 179.974
2 11 12 1 0.026
2 11 12 10 179.974
9 11 12 1 179.974
9 11 12 10 0.026
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