Home Sulfos 2-Bromo-4-(methylsulfonyl)toluene

2-Bromo-4-(methylsulfonyl)toluene

CAS No.:
702672-96-6
Catalog Number:
AG00FFCO
Molecular Formula:
C8H9BrO2S
Molecular Weight:
249.1249
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$71
- +
1g
97%
In Stock USA
United States
$75
- +
5g
97%
In Stock USA
United States
$194
- +
10g
97%
In Stock USA
United States
$275
- +
25g
97%
In Stock USA
United States
$550
- +
Product Description
Catalog Number:
AG00FFCO
Chemical Name:
2-Bromo-4-(methylsulfonyl)toluene
CAS Number:
702672-96-6
Molecular Formula:
C8H9BrO2S
Molecular Weight:
249.1249
MDL Number:
MFCD13195739
IUPAC Name:
2-bromo-1-methyl-4-methylsulfonylbenzene
InChI:
InChI=1S/C8H9BrO2S/c1-6-3-4-7(5-8(6)9)12(2,10)11/h3-5H,1-2H3
InChI Key:
AIRSBUZFXFIKHJ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1Br)S(=O)(=O)C
Properties
Complexity:
242  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.951g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.122g/mol
Monoisotopic Mass:
247.951g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties