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886767-49-3 | tert-Butyl 3-(4-chlorophenyl)piperazine-1-carboxylate
CAS No: 886767-49-3 Catalog No: AG0048C9 MDL No:MFCD03840084
Product Description
Catalog Number:
AG0048C9
Chemical Name:
tert-Butyl 3-(4-chlorophenyl)piperazine-1-carboxylate
CAS Number:
886767-49-3
Molecular Formula:
C15H21ClN2O2
Molecular Weight:
296.7924
MDL Number:
MFCD03840084
IUPAC Name:
tert-butyl 3-(4-chlorophenyl)piperazine-1-carboxylate
InChI:
InChI=1S/C15H21ClN2O2/c1-15(2,3)20-14(19)18-9-8-17-13(10-18)11-4-6-12(16)7-5-11/h4-7,13,17H,8-10H2,1-3H3
InChI Key:
WWWIVVADARKSAS-UHFFFAOYSA-N
SMILES:
O=C(N1CCNC(C1)c1ccc(cc1)Cl)OC(C)(C)C
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.129g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
296.795g/mol
Monoisotopic Mass:
296.129g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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