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357647-98-4 | 1-(4-Bromophenyl)-4-(methylsulfonyl)piperazine
CAS No: 357647-98-4 Catalog No: AG003CYH MDL No:MFCD14584697
Product Description
Catalog Number:
AG003CYH
Chemical Name:
1-(4-Bromophenyl)-4-(methylsulfonyl)piperazine
CAS Number:
357647-98-4
Molecular Formula:
C11H15BrN2O2S
Molecular Weight:
319.2180
MDL Number:
MFCD14584697
IUPAC Name:
1-(4-bromophenyl)-4-methylsulfonylpiperazine
InChI:
InChI=1S/C11H15BrN2O2S/c1-17(15,16)14-8-6-13(7-9-14)11-4-2-10(12)3-5-11/h2-5H,6-9H2,1H3
InChI Key:
OYUQGGGGXSYBPY-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)N1CCN(CC1)S(=O)(=O)C
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:
1.8
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