Home Fluorides 97630-12-1
97630-12-1,MFCD01755933
Catalog No.:AA019IKQ
97630-12-1 | 1-[3,5-bis(trifluoromethyl)benzenesulfonyl]piperazine hydrochloride
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Purity
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100mg
95.0%
3 weeks  
$162.00
- +
250mg
95.0%
3 weeks  
$214.00
- +
500mg
95.0%
3 weeks  
$378.00
- +
1g
95.0%
3 weeks  
$542.00
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  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA019IKQ
Chemical Name:
1-[3,5-bis(trifluoromethyl)benzenesulfonyl]piperazine hydrochloride
CAS Number:
97630-12-1
Molecular Formula:
C12H13ClF6N2O2S
Molecular Weight:
398.7522
MDL Number:
MFCD01755933
IUPAC Name:
1-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperazine;hydrochloride
InChI:
InChI=1S/C12H12F6N2O2S.ClH/c13-11(14,15)8-5-9(12(16,17)18)7-10(6-8)23(21,22)20-3-1-19-2-4-20;/h5-7,19H,1-4H2;1H
InChI Key:
LREFTIFOIBSXDQ-UHFFFAOYSA-N
SMILES:
FC(c1cc(cc(c1)C(F)(F)F)S(=O)(=O)N1CCNCC1)(F)F.Cl
Properties
Computed Properties
 
Complexity:
485  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.029g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
398.748g/mol
Monoisotopic Mass:
398.029g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
97630-12-1 
1-(3,5-Bis-trifluoromethyl-benzenesulfonyl)-piperazine hydrochloride 
CTK7B6520 
DTXSID20243073 
SBB075652 
AKOS015940861 
MCULE-5101281846 
NE11961 
DB-080468 
LS-110524 
FT-0735073 
EN300-07225 
1-[3,5-bis(trifluoromethyl)benzenesulfonyl]piperazine hydrochloride 
SR-01000047718 
SR-01000047718-1 
Z56948411 
{[3,5-bis(trifluoromethyl)phenyl]sulfonyl}piperazine, chloride 
1-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperazine hydrochloride 
1-{[3,5-bis-(Trifluoromethyl)phenyl]sulfonyl}piperazine hydrochloride 
C12H12F6N2O2S.ClH 
CID3024952 
C12-H12-F6-N2-O2-S.Cl-H 
1-((3,5-Bis(trifluoromethyl)phenyl)sulfonyl)piperazine monohydrochloride 
Piperazine, 1-((3,5-bis(trifluoromethyl)phenyl)sulfonyl)-, monohydrochloride 
1-{[3,5-bis(trifluoromethyl)phenyl]sulfonyl}piperazine hydrochloride 
1-((3,5-Bis(trifluoromethyl)phenyl)sulfonyl)piperazine hydrochloride 
1-[[3,5-bis(trifluoromethyl)phenyl]sulfonyl]Piperazine hydrochloride 
AC1MIHC8 
AC1Q3C72 
Literature
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