CCOC(=O)c1c(F)cc(F)c(F)c1F
名称: 2,3,4,6-tetrafluorobenzoic acid ethyl ester
SMILES: CCOC(=O)c1c(F)cc(F)c(F)c1F

Molecular Processing

Molecular formula
C9H6F4O2
Molecular weight
222.14
Exact mass
222.0304
XLogP
2.42
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
42.23

Supplementary Information

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