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1247885-06-8 | 4-Piperidinone, 5-broMo-3,3-diMethyl-1-[(4-Methylphenyl)sulfonyl]-
CAS No: 1247885-06-8 Catalog No: AG000MQV MDL No:
Product Description
Catalog Number:
AG000MQV
Chemical Name:
4-Piperidinone, 5-broMo-3,3-diMethyl-1-[(4-Methylphenyl)sulfonyl]-
CAS Number:
1247885-06-8
Molecular Formula:
C14H18BrNO3S
Molecular Weight:
360.2666
IUPAC Name:
5-bromo-3,3-dimethyl-1-(4-methylphenyl)sulfonylpiperidin-4-one
InChI:
InChI=1S/C14H18BrNO3S/c1-10-4-6-11(7-5-10)20(18,19)16-8-12(15)13(17)14(2,3)9-16/h4-7,12H,8-9H2,1-3H3
InChI Key:
OGLJPDCEBNTHAD-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)N1CC(Br)C(=O)C(C1)(C)C
Properties
Complexity:
475
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.019g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
360.266g/mol
Monoisotopic Mass:
359.019g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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