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Home > Bromides > 1020252-95-2
1020252-95-2 | Piperidine, 1-[(3-bromo-5-methylphenyl)sulfonyl]-
CAS No: 1020252-95-2 Catalog No: AG0006DN MDL No:MFCD09972151
Product Description
Catalog Number:
AG0006DN
Chemical Name:
Piperidine, 1-[(3-bromo-5-methylphenyl)sulfonyl]-
CAS Number:
1020252-95-2
Molecular Formula:
C12H16BrNO2S
Molecular Weight:
318.2299
MDL Number:
MFCD09972151
IUPAC Name:
1-(3-bromo-5-methylphenyl)sulfonylpiperidine
InChI:
InChI=1S/C12H16BrNO2S/c1-10-7-11(13)9-12(8-10)17(15,16)14-5-3-2-4-6-14/h7-9H,2-6H2,1H3
InChI Key:
JLUJPVCLBZIGRS-UHFFFAOYSA-N
SMILES:
Cc1cc(Br)cc(c1)S(=O)(=O)N1CCCCC1
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.009g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.229g/mol
Monoisotopic Mass:
317.009g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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