Nombre: tert-butyl 3-(4-bromo-2-iodobenzyl)-3-cyanoazetidine-1-carboxylate
SMILES:
CC(C)(C)OC(=O)N1CC(C#N)(Cc2ccc(Br)cc2I)C1Molecular Processing
Molecular formula
C16H18BrIN2O2
Molecular weight
477.14
Exact mass
475.9596
XLogP
4.36
TPSA
53.33
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
22
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
96.42
Supplementary Information
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