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1-Cyclopropyl-2-fluorobenzene |
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ID: 6768 CAS:1260887-59-9 Supplier:SYNCHEM OHG SMILES:c1ccc(c(c1)C1CC1)F FORMULA: C9H9F
MASS: 136.1662
EXACT MASS: 136.0688285
INTERATOMIC DISTANCES
C 1 C 2 C 3 C 4 C 5 C 6
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C 1 0.0000
C 2 0.8273 0.0000
C 3 1.4308 0.8255 0.0000
C 4 1.6520 1.4313 0.8272 0.0000
C 5 1.4272 1.6525 1.4341 0.8306 0.0000
C 6 0.8228 1.4305 1.6530 1.4328 0.8241 0.0000
C 7 2.1807 2.4775 2.1880 1.4339 0.8250 1.4283
C 8 2.9934 3.2165 2.7961 1.9764 1.5919 2.2520
C 9 2.7889 3.2159 2.9995 2.2562 1.5911 1.9728
F 10 2.4769 2.1854 1.4316 0.8249 1.4345 2.1864
C 7 C 8 C 9 F 10
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C 7 0.0000
C 8 0.8237 0.0000
C 9 0.8223 0.8250 0.0000
F 10 1.6571 1.8489 2.4048 0.0000
ATOMIC CHARGES
C 1 -0.0001797476
C 2 0.0022840626
C 3 0.0293100159
C 4 0.1361205538
C 5 0.0049513083
C 6 -0.0020598126
C 7 0.0245598412
C 8 0.0047596022
C 9 0.0047596022
F 10 -0.2045054260
BOND ANGLES
7 5 6 C3 Car Car 120.020
5 6 1 Car Car Car 120.126
6 5 7 Car Car C3 120.020
5 7 9 Car C3 C3 150.006
10 4 5 F Car Car 120.106
4 5 6 Car Car Car 119.963
4 5 7 Car Car C3 120.017
5 4 10 Car Car F 120.106
TORSION ANGLES
1 2 3 4 0.026
7 5 6 1 179.974
4 5 6 1 0.026
5 6 1 2 0.026
6 1 2 3 0.026
6 5 7 8 179.974
6 5 7 9 0.026
4 5 7 8 0.026
4 5 7 9 179.974
9 8 7 5 179.974
9 8 7 9 0.026
7 9 8 7 0.026
5 7 9 8 179.974
8 7 9 8 0.026
2 3 4 5 0.026
2 3 4 10 179.974
3 4 5 6 0.026
3 4 5 7 179.974
10 4 5 6 179.974
10 4 5 7 0.026
CHIRAL ATOMS
C 7 is chiral: counterclockwise
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