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209808-06-0 | 1-Piperidinecarboxylic acid, 4-(4-chlorobenzoyl)-, 1,1-dimethylethyl ester
CAS No: 209808-06-0 Catalog No: AG002KEQ MDL No:MFCD04114989
Product Description
Catalog Number:
AG002KEQ
Chemical Name:
1-Piperidinecarboxylic acid, 4-(4-chlorobenzoyl)-, 1,1-dimethylethyl ester
CAS Number:
209808-06-0
Molecular Formula:
C17H22ClNO3
Molecular Weight:
323.8145
MDL Number:
MFCD04114989
IUPAC Name:
tert-butyl 4-(4-chlorobenzoyl)piperidine-1-carboxylate
InChI:
InChI=1S/C17H22ClNO3/c1-17(2,3)22-16(21)19-10-8-13(9-11-19)15(20)12-4-6-14(18)7-5-12/h4-7,13H,8-11H2,1-3H3
InChI Key:
UGKNVKLWKSPWPH-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)Cl)C1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.129g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
323.817g/mol
Monoisotopic Mass:
323.129g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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