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819792-62-6 | 2-Propen-1-one, 3-(3-chlorophenyl)-1-[4-(methylsulfonyl)phenyl]-
CAS No: 819792-62-6 Catalog No: AG0055EP MDL No:
Product Description
Catalog Number:
AG0055EP
Chemical Name:
2-Propen-1-one, 3-(3-chlorophenyl)-1-[4-(methylsulfonyl)phenyl]-
CAS Number:
819792-62-6
Molecular Formula:
C16H13ClO3S
Molecular Weight:
320.7906
IUPAC Name:
3-(3-chlorophenyl)-1-(4-methylsulfonylphenyl)prop-2-en-1-one
InChI:
InChI=1S/C16H13ClO3S/c1-21(19,20)15-8-6-13(7-9-15)16(18)10-5-12-3-2-4-14(17)11-12/h2-11H,1H3
InChI Key:
PPTPCWNFPGGIJZ-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)C=CC(=O)c1ccc(cc1)S(=O)(=O)C
Properties
Complexity:
484
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.027g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.787g/mol
Monoisotopic Mass:
320.027g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.6
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