Name: tert-butyl 3-(4-bromophenoxy)azetidine-1-carboxylate
SMILES:
CC(C)(C)OC(=O)N1CC(Oc2ccc(Br)cc2)C1Molecular Processing
Molecular formula
C14H18BrNO3
Molecular weight
328.21
Exact mass
327.047
XLogP
3.45
TPSA
38.77
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
76.37
Supplementary Information
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