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tert-butyl 4-cyano-4-(3,4-dichlorophenyl)piperidine-1-carboxylate

tert-butyl 4-cyano-4-(3,4-dichlorophenyl)piperidine-1-carboxylate

CAS: 669068-10-4

Formula: C17H20Cl2N2O2

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

IUPAC: tert-butyl 4-cyano-4-(3,4-dichlorophenyl)piperidine-1-carboxylate

InChI: InChI=1S/C17H20Cl2N2O2/c1-16(2,3)23-15(22)21-8-6-17(11-20,7-9-21)12-4-5-13(18)14(19)10-12/h4-5,10H,6-9H2,1-3H3

Composition: C (57.48%), H (5.67%), Cl (19.96%), N (7.89%), O (9.01%)

Molar Mass: 355.26

Atom Count: 43

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 354.0901833
Formal Charge 0
FSP3 0.53
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey DMIDDGVWDUNAMN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 91.26
Topological Polar Surface Area 53.33
Polarizability 35.41
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 669068-10-4 $103.68-$836.16$103.68$258.24$836.16
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