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1367126-89-3 | 1-Piperazinecarboxylic acid, 4-(2,6-dichloro-4-pyridinyl)-, 1,1-dimethylethyl ester
CAS No: 1367126-89-3 Catalog No: AG001291 MDL No:
Product Description
Catalog Number:
AG001291
Chemical Name:
1-Piperazinecarboxylic acid, 4-(2,6-dichloro-4-pyridinyl)-, 1,1-dimethylethyl ester
CAS Number:
1367126-89-3
Molecular Formula:
C14H19Cl2N3O2
Molecular Weight:
332.2256
IUPAC Name:
tert-butyl 4-(2,6-dichloropyridin-4-yl)piperazine-1-carboxylate
InChI:
InChI=1S/C14H19Cl2N3O2/c1-14(2,3)21-13(20)19-6-4-18(5-7-19)10-8-11(15)17-12(16)9-10/h8-9H,4-7H2,1-3H3
InChI Key:
BXNNCNQQROWTKE-UHFFFAOYSA-N
SMILES:
Clc1nc(Cl)cc(c1)N1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.085g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
332.225g/mol
Monoisotopic Mass:
331.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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