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869478-16-0 | tert-Butyl 4-(4-chloro-2-formylphenyl)tetrahydro-1(2H)-pyrazinecarboxylate
CAS No: 869478-16-0 Catalog No: AG004OAA MDL No:MFCD16622782
Product Description
Catalog Number:
AG004OAA
Chemical Name:
tert-Butyl 4-(4-chloro-2-formylphenyl)tetrahydro-1(2H)-pyrazinecarboxylate
CAS Number:
869478-16-0
Molecular Formula:
C16H21ClN2O3
Molecular Weight:
324.8025
MDL Number:
MFCD16622782
IUPAC Name:
tert-butyl 4-(4-chloro-2-formylphenyl)piperazine-1-carboxylate
InChI:
InChI=1S/C16H21ClN2O3/c1-16(2,3)22-15(21)19-8-6-18(7-9-19)14-5-4-13(17)10-12(14)11-20/h4-5,10-11H,6-9H2,1-3H3
InChI Key:
QYUKBCDPNJYYKP-UHFFFAOYSA-N
SMILES:
O=Cc1cc(Cl)ccc1N1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.124g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
324.805g/mol
Monoisotopic Mass:
324.124g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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