Nom: methyl 3-(aminomethyl)-4-fluorobenzoate hydrochloride
SMILES:
COC(=O)c1ccc(F)c(CN)c1.ClMolecular Processing
Molecular formula
C9H11ClFNO2
Molecular weight
219.64
Exact mass
219.0462
XLogP
1.49
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
2
Fraction Csp3
0.222
Molar refractivity
52.88
Supplementary Information
Récupération des détails…
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