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1323952-12-0 | 1-Piperazinecarboxylic acid, 4-(5-chloro-2-pyrimidinyl)-, 1,1-dimethylethyl ester
CAS No: 1323952-12-0 Catalog No: AG0010N7 MDL No:
Product Description
Catalog Number:
AG0010N7
Chemical Name:
1-Piperazinecarboxylic acid, 4-(5-chloro-2-pyrimidinyl)-, 1,1-dimethylethyl ester
CAS Number:
1323952-12-0
Molecular Formula:
C13H19ClN4O2
Molecular Weight:
298.7686
IUPAC Name:
tert-butyl 4-(5-chloropyrimidin-2-yl)piperazine-1-carboxylate
InChI:
InChI=1S/C13H19ClN4O2/c1-13(2,3)20-12(19)18-6-4-17(5-7-18)11-15-8-10(14)9-16-11/h8-9H,4-7H2,1-3H3
InChI Key:
YLJDBQSKVVKNGY-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)c1ncc(cn1)Cl)OC(C)(C)C
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.12g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.771g/mol
Monoisotopic Mass:
298.12g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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