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942473-68-9 | 1-(4-Bromo-3-trifluoromethyl-benzenesulfonyl)-piperazine
CAS No: 942473-68-9 Catalog No: AG01EZF2 MDL No:MFCD09475453
Product Description
Catalog Number:
AG01EZF2
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
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
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