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1170080-52-0,MFCD11857772
Catalog No.:AA019NB8
1170080-52-0 | 1-[2-chloro-5-(trifluoromethyl)benzenesulfonyl]piperazine hydrochloride
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Technical Information
Catalog Number:
AA019NB8
Chemical Name:
1-[2-chloro-5-(trifluoromethyl)benzenesulfonyl]piperazine hydrochloride
CAS Number:
1170080-52-0
Molecular Formula:
C11H13Cl2F3N2O2S
Molecular Weight:
365.1993
MDL Number:
MFCD11857772
IUPAC Name:
1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazine;hydrochloride
InChI:
InChI=1S/C11H12ClF3N2O2S.ClH/c12-9-2-1-8(11(13,14)15)7-10(9)20(18,19)17-5-3-16-4-6-17;/h1-2,7,16H,3-6H2;1H
InChI Key:
GABIHZZWUQDCJJ-UHFFFAOYSA-N
SMILES:
FC(c1ccc(c(c1)S(=O)(=O)N1CCNCC1)Cl)(F)F.Cl
Properties
Computed Properties
 
Complexity:
432  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.003g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
365.192g/mol
Monoisotopic Mass:
364.003g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
1-[2-chloro-5-(trifluoromethyl)benzenesulfonyl]piperazine hydrochloride 
1170080-52-0 
1-{[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl}piperazine hydrochloride 
AC1Q3C71 
CTK7B6622 
AKOS025980282 
NE15298 
EN300-40142 
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