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

4-Bromo-2-(methylsulfonyl)benzonitrile

CAS No.:
1208402-11-2
Catalog Number:
AG009LUZ
Molecular Formula:
C8H6BrNO2S
Molecular Weight:
260.1077
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$75
- +
1g
95%
In Stock USA
United States
$225
- +
5g
95%
In Stock USA
United States
$900
- +
Product Description
Catalog Number:
AG009LUZ
Chemical Name:
4-Bromo-2-(methylsulfonyl)benzonitrile
CAS Number:
1208402-11-2
Molecular Formula:
C8H6BrNO2S
Molecular Weight:
260.1077
MDL Number:
MFCD12828670
IUPAC Name:
4-bromo-2-methylsulfonylbenzonitrile
InChI:
InChI=1S/C8H6BrNO2S/c1-13(11,12)8-4-7(9)3-2-6(8)5-10/h2-4H,1H3
InChI Key:
PUMSPSJVENMDOP-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1S(=O)(=O)C)Br
Properties
Complexity:
324  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.93g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.105g/mol
Monoisotopic Mass:
258.93g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties