Name: ethyl 4-(bromomethyl)-3-chloro-5-fluorobenzoate
SMILES:
CCOC(=O)c1cc(F)c(CBr)c(Cl)c1Molecular Processing
Molecular formula
C10H9BrClFO2
Molecular weight
295.53
Exact mass
293.9458
XLogP
3.55
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
60
Supplementary Information
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