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tert-butyl 4-(4-chlorobenzenesulfonyl)piperidine-1-carboxylate

tert-butyl 4-(4-chlorobenzenesulfonyl)piperidine-1-carboxylate

CAS: 333954-88-4

Formula: C16H22ClNO4S

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

IUPAC: tert-butyl 4-(4-chlorobenzenesulfonyl)piperidine-1-carboxylate

InChI: InChI=1S/C16H22ClNO4S/c1-16(2,3)22-15(19)18-10-8-14(9-11-18)23(20,21)13-6-4-12(17)5-7-13/h4-7,14H,8-11H2,1-3H3

Composition: C (53.40%), H (6.16%), Cl (9.85%), N (3.89%), O (17.78%), S (8.91%)

Molar Mass: 359.87

Atom Count: 45

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 359.0958071
Formal Charge 0
FSP3 0.56
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey QIOIWMKXKAAXTR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 89.85
Topological Polar Surface Area 63.68
Polarizability 35.99
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime CAS UnitPrice
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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 333954-88-4 $2,060.00-$4,400.00$2,060.00$2,860.00$4,400.00
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