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Home > Bromides > 1199773-16-4
1199773-16-4 | Piperazine, 1-[(4-bromophenyl)sulfonyl]-4-butyl-
CAS No: 1199773-16-4 Catalog No: AG000PXQ MDL No:MFCD13195730
Product Description
Catalog Number:
AG000PXQ
Chemical Name:
Piperazine, 1-[(4-bromophenyl)sulfonyl]-4-butyl-
CAS Number:
1199773-16-4
Molecular Formula:
C14H21BrN2O2S
Molecular Weight:
361.2977
MDL Number:
MFCD13195730
IUPAC Name:
1-(4-bromophenyl)sulfonyl-4-butylpiperazine
InChI:
InChI=1S/C14H21BrN2O2S/c1-2-3-8-16-9-11-17(12-10-16)20(18,19)14-6-4-13(15)5-7-14/h4-7H,2-3,8-12H2,1H3
InChI Key:
XSWKENUNVGFSCU-UHFFFAOYSA-N
SMILES:
CCCCN1CCN(CC1)S(=O)(=O)c1ccc(cc1)Br
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.051g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
361.298g/mol
Monoisotopic Mass:
360.051g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
49A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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