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tert-butyl 4-(2-bromobenzenesulfonyl)piperidine-1-carboxylate

tert-butyl 4-(2-bromobenzenesulfonyl)piperidine-1-carboxylate

CAS: 887591-20-0

Formula: C16H22BrNO4S

SMILES: CC(C)(C)OC(=O)N1CCC(CC1)S(=O)(=O)C1=C(Br)C=CC=C1

IUPAC: tert-butyl 4-(2-bromobenzenesulfonyl)piperidine-1-carboxylate

InChI: InChI=1S/C16H22BrNO4S/c1-16(2,3)22-15(19)18-10-8-12(9-11-18)23(20,21)14-7-5-4-6-13(14)17/h4-7,12H,8-11H2,1-3H3

Composition: C (47.53%), H (5.48%), Br (19.76%), N (3.46%), O (15.83%), S (7.93%)

Molar Mass: 404.32

Atom Count: 45

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 403.045292
Formal Charge 0
FSP3 0.56
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey NXOHNJPMNHGWEM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 92.67
Topological Polar Surface Area 63.68
Polarizability 36.93
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 887591-20-0 $2,640.00-$4,306.00$2,640.00$3,520.00$4,306.00
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