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1155306-28-7 | 1-Piperazinecarboxylic acid, 4-(2,6-dichloro-4-pyrimidinyl)-, 1,1-dimethylethyl ester
CAS No: 1155306-28-7 Catalog No: AG000G4A MDL No:MFCD09746267
Product Description
Catalog Number:
AG000G4A
Chemical Name:
1-Piperazinecarboxylic acid, 4-(2,6-dichloro-4-pyrimidinyl)-, 1,1-dimethylethyl ester
CAS Number:
1155306-28-7
Molecular Formula:
C13H18Cl2N4O2
Molecular Weight:
333.2136
MDL Number:
MFCD09746267
IUPAC Name:
tert-butyl 4-(2,6-dichloropyrimidin-4-yl)piperazine-1-carboxylate
InChI:
InChI=1S/C13H18Cl2N4O2/c1-13(2,3)21-12(20)19-6-4-18(5-7-19)10-8-9(14)16-11(15)17-10/h8H,4-7H2,1-3H3
InChI Key:
BAGLJGSQRQHRPV-UHFFFAOYSA-N
SMILES:
Clc1nc(Cl)nc(c1)N1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.081g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
333.213g/mol
Monoisotopic Mass:
332.081g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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