Name: ethyl 5-amino-2-chloro-4-fluorobenzoate
SMILES:
CCOC(=O)c1cc(N)c(F)cc1ClMolecular Processing
Molecular formula
C9H9ClFNO2
Molecular weight
217.63
Exact mass
217.0306
XLogP
2.24
TPSA
52.32
H-bond donors
1
H-bond acceptors
3
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
5
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
51.78
Supplementary Information
Details werden geladen…
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