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1261233-22-0 | 1-Piperidinecarboxylic acid, 4-[(5-chloro-2-pyrimidinyl)oxy]-, 1,1-dimethylethyl ester
CAS No: 1261233-22-0 Catalog No: AG000ROJ MDL No:MFCD18380072
Product Description
Catalog Number:
AG000ROJ
Chemical Name:
1-Piperidinecarboxylic acid, 4-[(5-chloro-2-pyrimidinyl)oxy]-, 1,1-dimethylethyl ester
CAS Number:
1261233-22-0
Molecular Formula:
C14H20ClN3O3
Molecular Weight:
313.7799
MDL Number:
MFCD18380072
IUPAC Name:
tert-butyl 4-(5-chloropyrimidin-2-yl)oxypiperidine-1-carboxylate
InChI:
InChI=1S/C14H20ClN3O3/c1-14(2,3)21-13(19)18-6-4-11(5-7-18)20-12-16-8-10(15)9-17-12/h8-9,11H,4-7H2,1-3H3
InChI Key:
QNEZAMLIZDUEBS-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)Oc1ncc(cn1)Cl)OC(C)(C)C
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.119g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.782g/mol
Monoisotopic Mass:
313.119g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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