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1214111-48-4,MFCD16631755
Catalog No.:AA01AQJA
1214111-48-4 | 3-(2-CHLOROPHENYL)-1-METHYLPIPERAZINE-2,5-DIONE
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Technical Information
Catalog Number:
AA01AQJA
Chemical Name:
3-(2-CHLOROPHENYL)-1-METHYLPIPERAZINE-2,5-DIONE
CAS Number:
1214111-48-4
Molecular Formula:
C11H11ClN2O2
Molecular Weight:
238.6702
MDL Number:
MFCD16631755
IUPAC Name:
3-(2-chlorophenyl)-1-methylpiperazine-2,5-dione
InChI:
InChI=1S/C11H11ClN2O2/c1-14-6-9(15)13-10(11(14)16)7-4-2-3-5-8(7)12/h2-5,10H,6H2,1H3,(H,13,15)
InChI Key:
UQPIQWHVYXBQNG-UHFFFAOYSA-N
SMILES:
O=C1CN(C)C(=O)C(N1)c1ccccc1Cl
Properties
Computed Properties
 
Complexity:
308  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.051g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
238.671g/mol
Monoisotopic Mass:
238.051g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  

Synonyms
 
3-(2-chlorophenyl)-1-methylpiperazine-2,5-dione 
1214111-48-4 
AKOS015958150 
MCULE-6432331720 
F2147-0664 
Literature
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