Home Bromides 942473-68-9
942473-68-9,MFCD09475453
Catalog No.:AA01EZCA
942473-68-9 | 1-(4-Bromo-3-trifluoromethyl-benzenesulfonyl)-piperazine
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Purity
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250mg
95%
1 week  
$209.00
- +
1g
95%
1 week  
$380.00
- +
5g
95%
1 week  
$1,159.00
- +
25g
95%
1 week  
$3,784.00
- +
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Technical Information
Catalog Number:
AA01EZCA
Chemical Name:
1-(4-Bromo-3-trifluoromethyl-benzenesulfonyl)-piperazine
CAS Number:
942473-68-9
Molecular Formula:
C11H12BrF3N2O2S
Molecular Weight:
373.1894
MDL Number:
MFCD09475453
IUPAC Name:
1-[4-bromo-3-(trifluoromethyl)phenyl]sulfonylpiperazine
InChI:
InChI=1S/C11H12BrF3N2O2S/c12-10-2-1-8(7-9(10)11(13,14)15)20(18,19)17-5-3-16-4-6-17/h1-2,7,16H,3-6H2
InChI Key:
JTAMMQLGLAZTKG-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1C(F)(F)F)S(=O)(=O)N1CCNCC1
Properties
Computed Properties
 
Complexity:
432  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.975g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
373.188g/mol
Monoisotopic Mass:
371.975g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

Synonyms
 
1-(4-Bromo-3-trifluoromethyl-benzenesulfonyl)-piperazine 
942473-68-9 
DTXSID40650169 
MFCD09475453 
ZINC15442736 
AKOS026672338 
DB-017274 
1-[4-Bromo-3-(trifluoromethyl)benzene-1-sulfonyl]piperazine 
Literature
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