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1-(tert-butoxycarbonyl)-4-(3-chlorophenyl)piperidine-4-carboxylic acid

1-(tert-butoxycarbonyl)-4-(3-chlorophenyl)piperidine-4-carboxylic acid

CAS: 1001124-90-8

Formula: C17H22ClNO4

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

IUPAC: 1-[(tert-butoxy)carbonyl]-4-(3-chlorophenyl)piperidine-4-carboxylic acid

InChI: InChI=1S/C17H22ClNO4/c1-16(2,3)23-15(22)19-9-7-17(8-10-19,14(20)21)12-5-4-6-13(18)11-12/h4-6,11H,7-10H2,1-3H3,(H,20,21)

Composition: C (60.09%), H (6.53%), Cl (10.43%), N (4.12%), O (18.83%)

Molar Mass: 339.82

Atom Count: 45

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 339.1237359
Formal Charge 0
FSP3 0.53
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey CWHKDJGMAAWEPY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 87.47
Topological Polar Surface Area 66.84
Polarizability 34.19
Ring Count 2
Rotatable Bond Count 4

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Acrotein ChemBio Inc.,
Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 1001124-90-8 $158.40-$853.44$158.40$264.00$853.44
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