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1221658-67-8 | Piperazine, 1-(4-bromophenyl)-4-(ethylsulfonyl)-
CAS No: 1221658-67-8 Catalog No: AG0016VF MDL No:MFCD16036099
Product Description
Catalog Number:
AG0016VF
Chemical Name:
Piperazine, 1-(4-bromophenyl)-4-(ethylsulfonyl)-
CAS Number:
1221658-67-8
Molecular Formula:
C12H17BrN2O2S
Molecular Weight:
333.2446
MDL Number:
MFCD16036099
IUPAC Name:
1-(4-bromophenyl)-4-ethylsulfonylpiperazine
InChI:
InChI=1S/C12H17BrN2O2S/c1-2-18(16,17)15-9-7-14(8-10-15)12-5-3-11(13)4-6-12/h3-6H,2,7-10H2,1H3
InChI Key:
DPGNULCSJLDVBD-UHFFFAOYSA-N
SMILES:
CCS(=O)(=O)N1CCN(CC1)c1ccc(cc1)Br
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.019g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
333.244g/mol
Monoisotopic Mass:
332.019g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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