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Home Sulfos 1-(4-Bromophenylsulfonyl)-4-methylpiperazine

1-(4-Bromophenylsulfonyl)-4-methylpiperazine

CAS No.:
837-12-7
Catalog Number:
AG008IHT
Molecular Formula:
C11H15BrN2O2S
Molecular Weight:
319.2180
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$57
- +
5g
98%
In Stock USA
United States
$225
- +
Product Description
Catalog Number:
AG008IHT
Chemical Name:
1-(4-Bromophenylsulfonyl)-4-methylpiperazine
CAS Number:
837-12-7
Molecular Formula:
C11H15BrN2O2S
Molecular Weight:
319.2180
MDL Number:
MFCD00595522
IUPAC Name:
1-(4-bromophenyl)sulfonyl-4-methylpiperazine
InChI:
InChI=1S/C11H15BrN2O2S/c1-13-6-8-14(9-7-13)17(15,16)11-4-2-10(12)3-5-11/h2-5H,6-9H2,1H3
InChI Key:
CBNDEXDYZUNXBF-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)Br
Properties
Complexity:
339  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.004g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.217g/mol
Monoisotopic Mass:
318.004g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
49A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties