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486422-26-8 | 1-(4-((4-Bromophenyl);sulfonyl);piperazin-1-yl);ethanone
CAS No: 486422-26-8 Catalog No: AG003CXW MDL No:MFCD09761794
Product Description
Catalog Number:
AG003CXW
Chemical Name:
1-(4-((4-Bromophenyl);sulfonyl);piperazin-1-yl);ethanone
CAS Number:
486422-26-8
Molecular Formula:
C12H15BrN2O3S
Molecular Weight:
347.2281
MDL Number:
MFCD09761794
IUPAC Name:
1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]ethanone
InChI:
InChI=1S/C12H15BrN2O3S/c1-10(16)14-6-8-15(9-7-14)19(17,18)12-4-2-11(13)3-5-12/h2-5H,6-9H2,1H3
InChI Key:
NBKDNKGVTSTVQZ-UHFFFAOYSA-N
SMILES:
CC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)Br
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.999g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
347.227g/mol
Monoisotopic Mass:
345.999g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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