Home Sulfos 4-Bromo-1-methanesulfonyl-2-methylbenzene

4-Bromo-1-methanesulfonyl-2-methylbenzene

CAS No.:
99768-21-5
Catalog Number:
AG00IKBZ
Molecular Formula:
C8H9BrO2S
Molecular Weight:
249.1249
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$94
- +
5g
96%
In Stock USA
United States
$350
- +
Product Description
Catalog Number:
AG00IKBZ
Chemical Name:
4-Bromo-1-methanesulfonyl-2-methylbenzene
CAS Number:
99768-21-5
Molecular Formula:
C8H9BrO2S
Molecular Weight:
249.1249
MDL Number:
MFCD22549347
IUPAC Name:
4-bromo-2-methyl-1-methylsulfonylbenzene
InChI:
InChI=1S/C8H9BrO2S/c1-6-5-7(9)3-4-8(6)12(2,10)11/h3-5H,1-2H3
InChI Key:
LNVYXKNXYRIPOR-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)C)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:
1.7  
Properties