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938-09-0 | 2-Chloroethyl phenyl sulfone, 98%
CAS No: 938-09-0 Catalog No: AG003H2G MDL No:MFCD00025047
Product Description
Catalog Number:
AG003H2G
Chemical Name:
2-Chloroethyl phenyl sulfone, 98%
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 |
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