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17530-89-1 | Ethanone, 2-[(4-methylphenyl)sulfinyl]-1-phenyl-
CAS No: 17530-89-1 Catalog No: AG0020WG MDL No:
Product Description
Catalog Number:
AG0020WG
Chemical Name:
Ethanone, 2-[(4-methylphenyl)sulfinyl]-1-phenyl-
CAS Number:
17530-89-1
Molecular Formula:
C15H14O2S
Molecular Weight:
258.3355
IUPAC Name:
2-(4-methylphenyl)sulfinyl-1-phenylethanone
InChI:
InChI=1S/C15H14O2S/c1-12-7-9-14(10-8-12)18(17)11-15(16)13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChI Key:
JQIQTCZCJCVZOX-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)CC(=O)c1ccccc1
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.071g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.335g/mol
Monoisotopic Mass:
258.071g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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