Home Sulfos 4-(Propan-2-ylsulfonyl)phenol

4-(Propan-2-ylsulfonyl)phenol

CAS No.:
494794-53-5
Catalog Number:
AG00I8UO
Molecular Formula:
C9H12O3S
Molecular Weight:
200.2548
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$438
- +
5g
96%
In Stock USA
United States
$1500
- +
Product Description
Catalog Number:
AG00I8UO
Chemical Name:
4-(Propan-2-ylsulfonyl)phenol
CAS Number:
494794-53-5
Molecular Formula:
C9H12O3S
Molecular Weight:
200.2548
MDL Number:
MFCD21985519
IUPAC Name:
4-propan-2-ylsulfonylphenol
InChI:
InChI=1S/C9H12O3S/c1-7(2)13(11,12)9-5-3-8(10)4-6-9/h3-7,10H,1-2H3
InChI Key:
YPEFHWAPVJSBBU-UHFFFAOYSA-N
SMILES:
CC(S(=O)(=O)c1ccc(cc1)O)C
Properties
Complexity:
243  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.051g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
200.252g/mol
Monoisotopic Mass:
200.051g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Literature
Title Journal
Unexpected differences in the alpha-halogenation and related reactivity of sulfones with perhaloalkanes in KOH-t-BuOH. The Journal of organic chemistry 20030124
Properties