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313490-26-5 | 1-[2-(Methylsulphonyl)phenyl]piperazine
CAS No: 313490-26-5 Catalog No: AG003DSX MDL No:MFCD08692378
Product Description
Catalog Number:
AG003DSX
Chemical Name:
1-[2-(Methylsulphonyl)phenyl]piperazine
CAS Number:
313490-26-5
Molecular Formula:
C11H16N2O2S
Molecular Weight:
240.3219
MDL Number:
MFCD08692378
IUPAC Name:
1-(2-methylsulfonylphenyl)piperazine
InChI:
InChI=1S/C11H16N2O2S/c1-16(14,15)11-5-3-2-4-10(11)13-8-6-12-7-9-13/h2-5,12H,6-9H2,1H3
InChI Key:
INKLJEOCOONOOR-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)c1ccccc1N1CCNCC1
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.093g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.321g/mol
Monoisotopic Mass:
240.093g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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