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100749-28-8 | 1,5-Pentanedione, 5-(4-chlorophenyl)-2-(methylsulfinyl)-1-phenyl-
CAS No: 100749-28-8 Catalog No: AG0002S1 MDL No:
Product Description
Catalog Number:
AG0002S1
Chemical Name:
1,5-Pentanedione, 5-(4-chlorophenyl)-2-(methylsulfinyl)-1-phenyl-
CAS Number:
100749-28-8
Molecular Formula:
C18H17ClO3S
Molecular Weight:
348.8438
IUPAC Name:
5-(4-chlorophenyl)-2-methylsulfinyl-1-phenylpentane-1,5-dione
InChI:
InChI=1S/C18H17ClO3S/c1-23(22)17(18(21)14-5-3-2-4-6-14)12-11-16(20)13-7-9-15(19)10-8-13/h2-10,17H,11-12H2,1H3
InChI Key:
WATZYHPGRYEDOF-UHFFFAOYSA-N
SMILES:
CS(=O)C(C(=O)c1ccccc1)CCC(=O)c1ccc(cc1)Cl
Properties
Complexity:
438
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.059g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
348.841g/mol
Monoisotopic Mass:
348.059g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
70.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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