Nom: Methyl 3-bromo-5-{[butyl(methyl)amino]methyl}benzoate
SMILES:
CCCCN(C)Cc1cc(Br)cc(C(=O)OC)c1Molecular Processing
Molecular formula
C14H20BrNO2
Molecular weight
314.22
Exact mass
313.0677
XLogP
3.47
TPSA
29.54
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
18
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
0.5
Molar refractivity
76.72
Supplementary Information
Récupération des détails…
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