Home Sulfos 1-(4-Trifluoromethyl-benzenesulfonyl)-piperazine hydrochloride

1-(4-Trifluoromethyl-benzenesulfonyl)-piperazine hydrochloride

CAS No.:
793679-07-9
Catalog Number:
AG008MD3
Molecular Formula:
C11H14ClF3N2O2S
Molecular Weight:
330.7543
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Product Description
Catalog Number:
AG008MD3
Chemical Name:
1-(4-Trifluoromethyl-benzenesulfonyl)-piperazine hydrochloride
CAS Number:
793679-07-9
Molecular Formula:
C11H14ClF3N2O2S
Molecular Weight:
330.7543
MDL Number:
MFCD08544428
IUPAC Name:
1-[4-(trifluoromethyl)phenyl]sulfonylpiperazine;hydrochloride
InChI:
InChI=1S/C11H13F3N2O2S.ClH/c12-11(13,14)9-1-3-10(4-2-9)19(17,18)16-7-5-15-6-8-16;/h1-4,15H,5-8H2;1H
InChI Key:
ITFRLYPBEYNQRV-UHFFFAOYSA-N
SMILES:
FC(c1ccc(cc1)S(=O)(=O)N1CCNCC1)(F)F.Cl
Properties
Complexity:
391  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.042g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
330.75g/mol
Monoisotopic Mass:
330.042g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties