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4-Ethoxy-2-fluoropyridine |
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ID: 6835 CAS:175965-82-9 Supplier:SYNCHEM OHG SMILES:c1c(nccc1OCC)F FORMULA: C7H8FNO
MASS: 141.1429
EXACT MASS: 141.0589921
INTERATOMIC DISTANCES
C 1 C 2 N 3 C 4 C 5 C 6
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C 1 0.0000
C 2 0.8333 0.0000
N 3 1.4352 0.8233 0.0000
C 4 0.8233 1.4352 1.6583 0.0000
C 5 1.6508 1.4250 0.8233 1.4352 0.0000
C 6 1.4250 1.6466 1.4280 0.8275 0.8250 0.0000
O 7 1.4301 2.1913 2.4833 0.8250 2.1886 1.4331
C 8 1.6500 2.4833 2.9812 1.4259 2.8610 2.1837
C 9 1.4259 2.1886 2.8610 1.6430 2.9731 2.4704
F 10 1.4359 0.8250 1.4272 2.1876 2.1790 2.4716
O 7 C 8 C 9 F 10
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O 7 0.0000
C 8 0.8233 0.0000
C 9 1.4250 0.8233 0.0000
F 10 2.8660 2.9833 2.4829 0.0000
ATOMIC CHARGES
C 1 0.0865148204
C 2 0.2253806241
N 3 -0.2162663228
C 4 0.1439351398
C 5 0.1044105073
C 6 0.0577117130
O 7 -0.4752824976
C 8 0.2055287217
C 9 0.0511645822
F 10 -0.1830972881
BOND ANGLES
10 2 1 F Car Car 119.968
5 3 2 Car Nar Car 119.863
3 2 1 Nar Car Car 120.069
3 2 10 Nar Car F 119.963
2 3 5 Car Nar Car 119.863
3 5 6 Nar Car Car 120.069
1 2 10 Car Car F 119.968
TORSION ANGLES
3 2 1 4 0.026
10 2 1 4 179.974
5 3 2 1 0.026
5 3 2 10 179.974
6 4 1 2 0.026
7 4 1 2 179.974
3 5 6 4 0.026
5 6 4 1 0.026
5 6 4 7 179.974
8 7 4 1 0.026
8 7 4 6 179.974
9 8 7 4 0.026
2 3 5 6 0.026
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