الاسم: 4-(2-bromo-phenoxy)-piperidine-1-carboxylic acid tert-butyl ester
SMILES:
CC(C)(C)OC(=O)N1CCC(Oc2ccccc2Br)CC1Molecular Processing
Molecular formula
C16H22BrNO3
Molecular weight
356.26
Exact mass
355.0783
XLogP
4.23
TPSA
38.77
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
21
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
0.562
Molar refractivity
85.6
Supplementary Information
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