Home Bromides 1214046-53-3
1214046-53-3,MFCD16631758
Catalog No.:AA01AQJD
1214046-53-3 | 3-(2-BROMOPHENYL)-1-METHYLPIPERAZINE-2,5-DIONE
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Technical Information
Catalog Number:
AA01AQJD
Chemical Name:
3-(2-BROMOPHENYL)-1-METHYLPIPERAZINE-2,5-DIONE
CAS Number:
1214046-53-3
Molecular Formula:
C11H11BrN2O2
Molecular Weight:
283.1212
MDL Number:
MFCD16631758
IUPAC Name:
3-(2-bromophenyl)-1-methylpiperazine-2,5-dione
InChI:
InChI=1S/C11H11BrN2O2/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:
DIBFPJFBGJVZGG-UHFFFAOYSA-N
SMILES:
O=C1CN(C)C(=O)C(N1)c1ccccc1Br
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:
282g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
283.125g/mol
Monoisotopic Mass:
282g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  

Synonyms
 
3-(2-bromophenyl)-1-methylpiperazine-2,5-dione 
1214046-53-3 
AKOS015958153 
MCULE-6330083606 
F2147-0667 
Literature
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