Home Sulfos 4-Methyl-3-(3-oxo-3-phenyl-propenyl)-benzenesulfonyl chloride

4-Methyl-3-(3-oxo-3-phenyl-propenyl)-benzenesulfonyl chloride

CAS No.:
728864-86-6
Catalog Number:
AG01EX76
Molecular Formula:
C16H13ClO3S
Molecular Weight:
320.7906
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Product Description
Catalog Number:
AG01EX76
Chemical Name:
4-Methyl-3-(3-oxo-3-phenyl-propenyl)-benzenesulfonyl chloride
CAS Number:
728864-86-6
Molecular Formula:
C16H13ClO3S
Molecular Weight:
320.7906
MDL Number:
MFCD04117309
IUPAC Name:
4-methyl-3-(3-oxo-3-phenylprop-1-enyl)benzenesulfonyl chloride
InChI:
InChI=1S/C16H13ClO3S/c1-12-7-9-15(21(17,19)20)11-14(12)8-10-16(18)13-5-3-2-4-6-13/h2-11H,1H3
InChI Key:
HJRUQJKGVFHZFM-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)/C=C/c1cc(ccc1C)S(=O)(=O)Cl
Properties
Complexity:
486  
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:
4.1  
Properties