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142226-55-9 | 2,5-Piperazinedione, 3-[(3-chlorophenyl)methylene]-
CAS No: 142226-55-9 Catalog No: AG001I09 MDL No:
Product Description
Catalog Number:
AG001I09
Chemical Name:
2,5-Piperazinedione, 3-[(3-chlorophenyl)methylene]-
CAS Number:
142226-55-9
Molecular Formula:
C11H9ClN2O2
Molecular Weight:
236.6544
IUPAC Name:
3-[(3-chlorophenyl)methylidene]piperazine-2,5-dione
InChI:
InChI=1S/C11H9ClN2O2/c12-8-3-1-2-7(4-8)5-9-11(16)13-6-10(15)14-9/h1-5H,6H2,(H,13,16)(H,14,15)
InChI Key:
SSXRIGCRTSWRIY-UHFFFAOYSA-N
SMILES:
O=C1CNC(=O)C(=Cc2cccc(c2)Cl)N1
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.035g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
236.655g/mol
Monoisotopic Mass:
236.035g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.4
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