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198126-70-4 | Ethanone, 2-[4-(methylsulfonyl)phenyl]-1-phenyl-
CAS No: 198126-70-4 Catalog No: AG002BAO MDL No:
Product Description
Catalog Number:
AG002BAO
Chemical Name:
Ethanone, 2-[4-(methylsulfonyl)phenyl]-1-phenyl-
CAS Number:
198126-70-4
Molecular Formula:
C15H14O3S
Molecular Weight:
274.3349
IUPAC Name:
2-(4-methylsulfonylphenyl)-1-phenylethanone
InChI:
InChI=1S/C15H14O3S/c1-19(17,18)14-9-7-12(8-10-14)11-15(16)13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChI Key:
DIIBQSRZBCMWLA-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)Cc1ccc(cc1)S(=O)(=O)C
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.066g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.334g/mol
Monoisotopic Mass:
274.066g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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