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Home Sulfos 2-Chloroethyl phenyl sulfone

2-Chloroethyl phenyl sulfone

CAS No.:
938-09-0
Catalog Number:
AG003H2G
Molecular Formula:
C8H9ClO2S
Molecular Weight:
204.6739
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Purity
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25g
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United States
$251
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Product Description
Catalog Number:
AG003H2G
Chemical Name:
2-Chloroethyl phenyl sulfone
CAS Number:
938-09-0
Molecular Formula:
C8H9ClO2S
Molecular Weight:
204.6739
MDL Number:
MFCD00025047
IUPAC Name:
2-chloroethylsulfonylbenzene
InChI:
InChI=1S/C8H9ClO2S/c9-6-7-12(10,11)8-4-2-1-3-5-8/h1-5H,6-7H2
InChI Key:
NUJGORANFDSMOL-UHFFFAOYSA-N
SMILES:
ClCCS(=O)(=O)c1ccccc1
EC Number:
213-337-5
Properties
Complexity:
212  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.001g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.668g/mol
Monoisotopic Mass:
204.001g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
Title Journal
Lead discovery of alpha,beta-unsaturated sulfones from a combinatorial library as inhibitors of inducible VCAM-1 expression. Bioorganic & medicinal chemistry letters 20030224
A three-component coupling process based on vicarious nucleophilic substitution (VNS(AR))-alkylation reactions: an approach to indoprofen and derivatives. The Journal of organic chemistry 20020125
Properties