Name: ethyl 3-chloro-5-fluoro-4-methylbenzoate
SMILES:
CCOC(=O)c1cc(F)c(C)c(Cl)c1Molecular Processing
Molecular formula
C10H10ClFO2
Molecular weight
216.64
Exact mass
216.0353
XLogP
2.96
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
52.1
Supplementary Information
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