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(2R,3R)-2-(3-chlorophenyl)-1-ethyl-6-oxopiperidine-3-carboxylic acid

(2R,3R)-2-(3-chlorophenyl)-1-ethyl-6-oxopiperidine-3-carboxylic acid

CAS: 1175689-25-4

Formula: C14H16ClNO3

SMILES: CCN1[C@H]([C@@H](CCC1=O)C(O)=O)C1=CC(Cl)=CC=C1

IUPAC: (2R,3R)-2-(3-chlorophenyl)-1-ethyl-6-oxopiperidine-3-carboxylic acid

InChI: InChI=1S/C14H16ClNO3/c1-2-16-12(17)7-6-11(14(18)19)13(16)9-4-3-5-10(15)8-9/h3-5,8,11,13H,2,6-7H2,1H3,(H,18,19)/t11-,13+/m1/s1

Composition: C (59.68%), H (5.72%), Cl (12.58%), N (4.97%), O (17.04%)

Molar Mass: 281.74

Atom Count: 35

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 281.0818711
Formal Charge 0
FSP3 0.43
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey FJUHZKMSZLYMCW-YPMHNXCESA-N
Lipinski's Rule of Five 1
Molar Refractivity 71.68
Topological Polar Surface Area 57.61
Polarizability 27.97
Ring Count 2
Rotatable Bond Count 3

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95% <2 Days 1175689-25-4 $404.27$404.27
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