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Home > Bromides > 1333319-57-5
1333319-57-5 | Piperazine, 1-(5-bromo-3-pyridinyl)-4-(methylsulfonyl)-
CAS No: 1333319-57-5 Catalog No: AG0014OG MDL No:
Product Description
Catalog Number:
AG0014OG
Chemical Name:
Piperazine, 1-(5-bromo-3-pyridinyl)-4-(methylsulfonyl)-
CAS Number:
1333319-57-5
Molecular Formula:
C10H14BrN3O2S
Molecular Weight:
320.2061
IUPAC Name:
1-(5-bromopyridin-3-yl)-4-methylsulfonylpiperazine
InChI:
InChI=1S/C10H14BrN3O2S/c1-17(15,16)14-4-2-13(3-5-14)10-6-9(11)7-12-8-10/h6-8H,2-5H2,1H3
InChI Key:
RDFPXKIHSLWMOM-UHFFFAOYSA-N
SMILES:
Brc1cncc(c1)N1CCN(CC1)S(=O)(=O)C
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.999g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.205g/mol
Monoisotopic Mass:
318.999g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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