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819792-74-0 | 2-Propen-1-one, 3-(3,4-dichlorophenyl)-1-[4-(methylsulfonyl)phenyl]-
CAS No: 819792-74-0 Catalog No: AG0055EM MDL No:
Product Description
Catalog Number:
AG0055EM
Chemical Name:
2-Propen-1-one, 3-(3,4-dichlorophenyl)-1-[4-(methylsulfonyl)phenyl]-
CAS Number:
819792-74-0
Molecular Formula:
C16H12Cl2O3S
Molecular Weight:
355.2357
IUPAC Name:
3-(3,4-dichlorophenyl)-1-(4-methylsulfonylphenyl)prop-2-en-1-one
InChI:
InChI=1S/C16H12Cl2O3S/c1-22(20,21)13-6-4-12(5-7-13)16(19)9-3-11-2-8-14(17)15(18)10-11/h2-10H,1H3
InChI Key:
SVGKFJPZWBBIIE-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)S(=O)(=O)C)C=Cc1ccc(c(c1)Cl)Cl
Properties
Complexity:
516
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.988g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
355.229g/mol
Monoisotopic Mass:
353.988g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.2
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