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tert-butyl 6-bromo-4H-spiro[1,3-benzodioxine-2,4'-piperidine]-1'-carboxylate

tert-butyl 6-bromo-4H-spiro[1,3-benzodioxine-2,4'-piperidine]-1'-carboxylate

CAS: 895525-73-2

Formula: C17H22BrNO4

SMILES: CC(C)(C)OC(=O)N1CCC2(CC1)OCC1=C(O2)C=CC(Br)=C1

IUPAC: tert-butyl 6-bromo-4H-spiro[1,3-benzodioxine-2,4'-piperidine]-1'-carboxylate

InChI: InChI=1S/C17H22BrNO4/c1-16(2,3)23-15(20)19-8-6-17(7-9-19)21-11-12-10-13(18)4-5-14(12)22-17/h4-5,10H,6-9,11H2,1-3H3

Composition: C (53.14%), H (5.77%), Br (20.79%), N (3.65%), O (16.65%)

Molar Mass: 384.27

Atom Count: 45

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 383.073221
Formal Charge 0
FSP3 0.59
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey YKOKNSPJTCUZOQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 89.24
Topological Polar Surface Area 48
Polarizability 35.25
Ring Count 3
Rotatable Bond Count 2

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