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1260606-86-7 | 1-Piperidinecarboxylic acid, 2-(2-chloroacetyl)-, 1,1-dimethylethyl ester, (2R)-
CAS No: 1260606-86-7 Catalog No: AG000QWJ MDL No:
Product Description
Catalog Number:
AG000QWJ
Chemical Name:
1-Piperidinecarboxylic acid, 2-(2-chloroacetyl)-, 1,1-dimethylethyl ester, (2R)-
CAS Number:
1260606-86-7
Molecular Formula:
C12H20ClNO3
Molecular Weight:
261.7451
IUPAC Name:
tert-butyl (2R)-2-(2-chloroacetyl)piperidine-1-carboxylate
InChI:
InChI=1S/C12H20ClNO3/c1-12(2,3)17-11(16)14-7-5-4-6-9(14)10(15)8-13/h9H,4-8H2,1-3H3/t9-/m1/s1
InChI Key:
OLKZBAFBHRIJEV-SECBINFHSA-N
SMILES:
ClCC(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
261.113g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.746g/mol
Monoisotopic Mass:
261.113g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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