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4-Fluoroindole |
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ID: CHH14022 CAS:387-43-9 Supplier:ChemiK Co.,Ltd. SMILES:[nH]1ccc2c(cccc12)F FORMULA: C8H6FN
MASS: 135.1383
EXACT MASS: 135.0484274
INTERATOMIC DISTANCES
N 1 C 2 C 3 C 4 C 5 C 6
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N 1 0.0000
C 2 0.8937 0.0000
C 3 1.4461 0.8938 0.0000
C 4 1.4461 1.4461 0.8937 0.0000
C 5 2.2916 2.3277 1.6329 0.8938 0.0000
C 6 2.6682 2.9573 2.4139 1.5480 0.8938 0.0000
C 7 2.4139 2.9572 2.6682 1.7875 1.5480 0.8937
C 8 1.6329 2.3277 2.2916 1.5480 1.7875 1.5480
C 9 0.8937 1.4461 1.4461 0.8937 1.5480 1.7875
F 10 2.9900 2.7955 1.9417 1.5480 0.8937 1.5480
C 7 C 8 C 9 F 10
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C 7 0.0000
C 8 0.8938 0.0000
C 9 1.5480 0.8938 0.0000
F 10 2.3646 2.6812 2.3646 0.0000
ATOMIC CHARGES
N 1 -0.2437633780
C 2 0.0989477697
C 3 0.0243672091
C 4 0.0466436082
C 5 0.1415751889
C 6 0.0297366582
C 7 0.0038491483
C 8 0.0192425434
C 9 0.0835225632
F 10 -0.2041213110
BOND ANGLES
9 1 2 Car Nar Car 107.999
1 2 3 Nar Car Car 108.003
9 4 5 Car Car Car 120.002
4 5 6 Car Car Car 119.997
4 5 10 Car Car F 120.002
10 5 6 F Car Car 120.002
5 6 7 Car Car Car 120.002
2 1 9 Car Nar Car 107.999
5 4 9 Car Car Car 120.002
6 5 10 Car Car F 120.002
TORSION ANGLES
9 1 2 3 0.026
1 2 3 4 0.026
2 3 4 5 179.974
2 3 4 9 0.026
3 4 5 6 179.974
3 4 5 10 0.026
9 4 5 6 0.026
9 4 5 10 179.974
4 5 6 7 0.026
10 5 6 7 179.974
5 6 7 8 0.026
6 7 8 9 0.026
7 8 9 1 179.974
7 8 9 4 0.026
2 1 9 8 179.974
2 1 9 4 0.026
3 4 9 8 179.974
3 4 9 1 0.026
5 4 9 8 0.026
5 4 9 1 179.974
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