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122128-97-6 | 1-Pentanone, 2-chloro-1-phenyl-2-(phenylsulfinyl)-
CAS No: 122128-97-6 Catalog No: AG0016TN MDL No:
Product Description
Catalog Number:
AG0016TN
Chemical Name:
1-Pentanone, 2-chloro-1-phenyl-2-(phenylsulfinyl)-
CAS Number:
122128-97-6
Molecular Formula:
C17H17ClO2S
Molecular Weight:
320.8337
IUPAC Name:
2-(benzenesulfinyl)-2-chloro-1-phenylpentan-1-one
InChI:
InChI=1S/C17H17ClO2S/c1-2-13-17(18,16(19)14-9-5-3-6-10-14)21(20)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3
InChI Key:
CCVQWLWZGBBIHV-UHFFFAOYSA-N
SMILES:
CCCC(S(=O)c1ccccc1)(C(=O)c1ccccc1)Cl
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.064g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.831g/mol
Monoisotopic Mass:
320.064g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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