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1-Cyclopropyl-4-fluorobenzene |
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ID: 6767 CAS:18511-60-9 Supplier:SYNCHEM OHG SMILES:c1c(ccc(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
F 7 1.4313 0.8250 1.4296 2.1854 2.4776 2.1836
C 8 2.1807 2.4775 2.1880 1.4339 0.8250 1.4283
C 9 2.9934 3.2165 2.7961 1.9764 1.5919 2.2520
C 10 2.7889 3.2159 2.9995 2.2562 1.5911 1.9728
F 7 C 8 C 9 C 10
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F 7 0.0000
C 8 3.3026 0.0000
C 9 4.0364 0.8237 0.0000
C 10 4.0352 0.8223 0.8250 0.0000
ATOMIC CHARGES
C 1 0.0293147151
C 2 0.1401238785
C 3 0.0293147151
C 4 -0.0019721409
C 5 -0.0223614018
C 6 -0.0019721409
F 7 -0.2041720996
C 8 0.0223545361
C 9 0.0046849692
C 10 0.0046849692
BOND ANGLES
7 2 3 F Car Car 120.029
2 3 4 Car Car Car 120.010
8 5 6 C3 Car Car 120.020
5 6 1 Car Car Car 120.126
3 2 7 Car Car F 120.029
6 5 8 Car Car C3 120.020
5 8 10 Car C3 C3 150.006
TORSION ANGLES
1 2 3 4 0.026
7 2 3 4 179.974
8 5 6 1 179.974
4 5 6 1 0.026
5 6 1 2 0.026
6 1 2 3 0.026
6 1 2 7 179.974
2 3 4 5 0.026
6 5 8 9 179.974
6 5 8 10 0.026
4 5 8 9 0.026
4 5 8 10 179.974
10 9 8 5 179.974
10 9 8 10 0.026
8 10 9 8 0.026
5 8 10 9 179.974
9 8 10 9 0.026
3 4 5 6 0.026
3 4 5 8 179.974
CHIRAL ATOMS
C 8 is chiral: counterclockwise
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