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162147-97-9 | 2-Butanone, 1-chloro-4-phenyl-1-(phenylsulfinyl)-
CAS No: 162147-97-9 Catalog No: AG001SSZ MDL No:
Product Description
Catalog Number:
AG001SSZ
Chemical Name:
2-Butanone, 1-chloro-4-phenyl-1-(phenylsulfinyl)-
CAS Number:
162147-97-9
Molecular Formula:
C16H15ClO2S
Molecular Weight:
306.8071
IUPAC Name:
1-(benzenesulfinyl)-1-chloro-4-phenylbutan-2-one
InChI:
InChI=1S/C16H15ClO2S/c17-16(20(19)14-9-5-2-6-10-14)15(18)12-11-13-7-3-1-4-8-13/h1-10,16H,11-12H2
InChI Key:
RILGLIBKVFVREC-UHFFFAOYSA-N
SMILES:
ClC(S(=O)c1ccccc1)C(=O)CCc1ccccc1
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.048g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.804g/mol
Monoisotopic Mass:
306.048g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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