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ID: 1701407869 Supplier:Focus Synthesis LLC. SMILES:C(C(=O)O)C(F)F FORMULA: C3H4F2O2
MASS: 110.0595
EXACT MASS: 110.0179358
INTERATOMIC DISTANCES
C 1 C 2 C 3 O 4 O 5 F 6
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C 1 0.0000
C 2 0.8251 0.0000
C 3 0.8362 1.4351 0.0000
O 4 1.4171 0.8124 2.1784 0.0000
O 5 1.4241 0.8178 1.6482 1.4114 0.0000
F 6 1.4385 1.6515 0.8283 2.4639 1.4249 0.0000
F 7 1.4221 2.1736 0.8131 2.8392 2.4613 1.4305
F 7
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F 7 0.0000
ATOMIC CHARGES
C 1 0.1860300669
C 2 0.3706313652
C 3 0.3298196514
O 4 -0.2454441179
O 5 -0.2454441179
F 6 -0.1977964239
F 7 -0.1977964239
BOND ANGLES
TORSION ANGLES
4 2 1 3 179.974
5 2 1 3 0.026
6 3 1 2 0.026
7 3 1 2 179.974
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