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Home > Fluorides > 845616-10-6
845616-10-6 | Piperazine,1-[2-fluoro-4-(methylsulfonyl)phenyl]-
CAS No: 845616-10-6 Catalog No: AG004R8I MDL No:MFCD03648602
Product Description
Catalog Number:
AG004R8I
Chemical Name:
Piperazine,1-[2-fluoro-4-(methylsulfonyl)phenyl]-
CAS Number:
845616-10-6
Molecular Formula:
C11H15FN2O2S
Molecular Weight:
258.3124
MDL Number:
MFCD03648602
IUPAC Name:
1-(2-fluoro-4-methylsulfonylphenyl)piperazine
InChI:
InChI=1S/C11H15FN2O2S/c1-17(15,16)9-2-3-11(10(12)8-9)14-6-4-13-5-7-14/h2-3,8,13H,4-7H2,1H3
InChI Key:
CMYAOPCJWBOQNZ-UHFFFAOYSA-N
SMILES:
Fc1cc(ccc1N1CCNCC1)S(=O)(=O)C
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.084g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.311g/mol
Monoisotopic Mass:
258.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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